万博体育bet 高性能计算中心联想Flex System高性能计算系统为全校师生提供高性能计算服务。本系统采用56Gbps高速互联，共由1个管理节点，2个登录节点，2个IO节点及96个计算节点构成。计算节点共2784颗CPU核心和2块GPU卡。总双精度峰值计算能力为每秒142.84万亿次（CPU:128.84万亿次/秒，GPU: 14万亿次/秒）

自2017年9月正式运行以来，平台已经为全校大量科研项目提供了巨大的计算资源。学校科研人员利用本平台资源已发表论文：

479 Zhang, G.; Peng, T.; Tong, Y.; Gong, Y.; Chen, Z.; Huang, W.; Dai, B., Full-scale experiments on the fire smoke extraction from naturally ventilated shafts for shallow-buried urban road tunnels in hot summer. Tunnelling and Underground Space Technology 2024, 143, 105441.

478 Na, X.; Liu, H.; Li, X.; Du, M.; Wang, T.; Zhang, Z.; Wu, C., Confined assembly of 2D biofilms at the air-water interface for versatile surface biofunctionalization of osteogenic implants. Nano Today 2024, 54, 102086.

477 Chen, Z.; Wu, C.; Liu, X.; Li, T.; Xie, M.; Xi, S.; Zhou, Y.; Wang, J., Boosting H2O2 utilization efficiency in benzene hydroxylation to phenol via isolated single VO4 site on hydrophobic poly (ionic liquid)-derivative. Chemical Engineering Journal 2024, 479, 147501.

476 Zhang, J.; Tang, H.; Zhang, J.; Zhang, Z., Mesoscopic simulation of multi-scheme particle separation in deterministic lateral displacement devices using two-piece hybrid pillars. Journal of Chromatography A 2023, 1711, 464434.

475 Zhang, J.; Liu, H.; Tang, H.; Zhang, J.; Zhang, Z., A layout-dependent formula for the critical separation size of parallelogram-type deterministic lateral displacement arrays. Physics of Fluids 2023, 35 (5).

474 Zhang, C.; Bai, H.; Hu, J.; Guo, K.; Zhao, L., Computationally rational design of metal‐involving halogen bonds with π‐covalency: Structures and bonding analysis. Journal of Computational Chemistry 2023, 44 (3), 480-488.

473 Yue, Q.; Li, G.; Fu, P.; Meng, B.; Ma, F.; Zhou, Y.; Wang, J. J. N. R., In-situ polarization of covalent organic frameworks in seawater enables enhanced photocatalytic hydrogen evolution under visible-light irradiation. 2023, 1-9.

472 Yu, X.-Q.; Zhang, X.; Qiu, T.; Liu, H.; Guo, J.; Li, Q.; Zhang, Z.; Chen, S., Engineering particles for sensing applications via in-situ synthesizing carbon dots@ SiO2 photonic crystals. Chemical Engineering Journal 2023, 465, 142851.

471 Yu, C. H.; Au‐Yeung, K. C.; Liu, R.; Lee, C. H.; Jiang, D.; Semagne Aweke, B.; Wu, C. H.; Wang, Y. J.; Wang, T. H.; Voon Kong, K., Diversification of the Carbodicarbene Class by Embedding an Anionic Component in its Scaffold. Chemistry–A European Journal 2023, e202302886.

470 Wu, Y.; Xi, S.; Chen, C.; Hu, Q.; Xiong, Z.; Wang, J.; Dai, Y.; Han, Y.; Jiang, S.; Wang, J., Synergistic roles of platinum nanoparticles and sodium ions within beta zeolites in N-alkylation of amines with aromatic alcohols. Science China Chemistry 2023, 66 (9), 2690-2699.

469 Wang, X.; Li, Y.; Li, J.; Zhang, Y.; Shao, J.; Li, Y., Direct Arylation Synthesis of Small Molecular Acceptors for Organic Solar Cells. Molecules 2023, 28 (8), 3515.

468 Wang, T.; Meng, B.; Zhou, Y.; Wang, Y.; Wang, L.; Ding, L.; Zhou, Y.; Wang, J., Confining organic cations in metal organic framework allows molecular level regulation of CO2 capture. AIChE Journal 2023, e18126.

467 Wang, S.; Yang, Y.; Lu, T.; Chen, Y.; Jin, C.; Gong, Y.; Chen, L., Multi-scale simulation of the effect of microbial growth on the permeability of porous media. Advances in Water Resources 2023, 179, 104503.

466 Wang, P.; Lv, Q.; Tao, Y.; Cheng, L.; Li, R.; Jiao, Y.; Fang, C.; Li, H.; Geng, C.; Sun, C., One-pot efficient fixation of low-concentration CO2 into cyclic carbonate by mesoporous pyridine-functionalized binuclear poly (ionic liquid) s. Molecular Catalysis 2023, 544, 113157.

465 Wang, L.; Mei, A.; Li, N.; Ruan, X.; Sun, X.; Cai, Y.; Shao, J.; Dong, X., Aza-BODIPY dye with unexpected bromination and high 1O2 quantum yield for photoacoustic imaging-guided synergetic photodynamic/photothermal therapy. Chinese Chemical Letters 2023, 108974.

464 Wang, J.; Jiang, Z.; Huang, C.; Zhao, S.; Zhu, S.; Liu, R.; Zhu, H., Self-Assembled BODIPY Nanoparticles for Near-Infrared Fluorescence Bioimaging. Molecules 2023, 28 (7), 2997.

463 Wang, J.; Chen, C.; Li, L.; Tang, Z.; Du, Z.; Wang, Y.; Pan, L.; Guan, Z., Construction of petal-like MOF-derived C-TiO2/Caln2S4 with S-scheme heterojunction for boosted photocatalytic of antibiotics and organic pollutants. Journal of Environmental Chemical Engineering 2023, 11 (3), 110133.

462 Wang, D.; Zhai, C.; Chen, Y.; He, Y.; Chen, X.-d.; Wang, S.; Zhao, L.; Frenking, G.; Wang, X.; Tan, G., An isolable germylyne radical with a one-coordinate germanium atom. Nature Chemistry 2023, 15 (2), 200-205.

461 Wan, Y.; Liu, H.; Chen, Z.; Wu, C.; Zhong, Q.; Wang, R.; Feng, W.; Chen, X.; Zhang, J.; Wang, T., Biomolecular 1D Necklace-like Nanostructures Tailoring 2D Janus Interfaces for Controllable 3D Enteric Biomaterials. ACS nano 2023, 17 (6), 5620-5631.

460 Sun, M.; Pan, D.; Ye, T.; Gu, J.; Zhou, Y.; Wang, J., Ionic porous polyamide derived N-doped carbon towards highly selective electroreduction of CO2. Chinese Journal of Chemical Engineering 2023, 55, 212-221.

459 Sun, C.; Yao, Z.; Wang, Q.; Guo, L.; Shen, X., Theoretical study on the organic acid promoted dissolution mechanism of forsterite mineral. Applied Surface Science 2023, 614, 156063.

458 Song, Y.; He, Y.; Hu, L.; Cheng, Q.; Chen, Z.; Liu, R.; Zhu, S.; Zhu, H., Panchromatic luminescent D–π–A benzothiazoles with different π-bridging modulation: design, synthesis and application in WLED devices. Materials Chemistry Frontiers 2023.

457 Shi, S.; Li, K.-D.; Li, Y.-X.; Ma, Z.-D.; Qi, S.-C.; Liu, X.-Q.; Sun, L.-B., Spiropyran-Embedded Metal–Organic Frameworks with Thermoresponsiveness for Tunable Gas Adsorption. ACS Materials Letters 2023, 5 (8), 2189-2196.

456 Shi, N.; Lu, L.; Guo, F.; Li, Z.; Shen, L.; Huang, J.; Guo, K., One-Pot, One-Step to Access Cyclic Amphiphilic Block Copoly (carbonate-b-ester). ACS Applied Polymer Materials 2023, 5 (11), 9307-9316.

455 Shao, X.-B.; Xing, Z.-W.; Liu, S.-Y.; Miao, K.-X.; Qi, S.-C.; Peng, S.-S.; Liu, X.-Q.; Sun, L.-B., Atomically dispersed calcium as solid strong base catalyst with high activity and stability. Green Energy & Environment 2023.

454 Ruan, X.; Wei, M.; He, X.; Wang, L.; Yang, D.; Cai, Y.; Shao, J.; Dong, X., Asymmetric aza-BODIPY photosensitizer for photoacoustic/photothermal imaging-guided synergistic photodynamic/photothermal therapy. Colloids and Surfaces B: Biointerfaces 2023, 231, 113547.

453 Qu, Y.; Hu, J.; Guo, F.; Ji, D.; Li, Y.; Li, Z.; Xu, Y.; Huang, J.; Zhao, L.; Guo, K., Understanding Alkali Cation-Assisted Ring-Opening Polymerization of Macrocyclic Carbonate: Kinetics and Thermodynamics. Macromolecules 2023, 56 (17), 6790-6797.

452 Qiu, C.; Wang, L.; Chen, R.; Zhang, J.; Ding, J.; Zhang, J.; Wan, H.; Guan, G., Insight of the State for Deliberately Introduced A-Site Defect in Nanofibrous LaFeO3 for Boosting Artificial Photosynthesis of CH3OH. ACS Applied Materials & Interfaces 2023.

451 Qin, L.; Zhang, Z.; Liu, R.; Zhou, M.; Zhao, L., A Computational Mechanistic Study of the Cleavage of Sulfur-Sulfur Bond by Frustrated Lewis Pairs. Tetrahedron Letters 2023, 154411.

450 Qi, S.-C.; Yu, Y.-F.; Yang, Z.-H.; Liu, X.-Y.; Lu, X.-J.; Liu, X.-Q.; Sun, L.-B., Active sites modulation with Runge–Gross theorem: CO2 capture by porphyrinic metal–organic frameworks at excited states. AIChE Journal 2023, 69 (5), e17994.

449 Qi, S.-C.; Sun, Z.; Yang, Z.-H.; Zhao, Y.-J.; Li, J.-X.; Liu, X.-Q.; Sun, L.-B., Photo-Responsive Carbon Capture over Metalloporphyrin-C60 Metal-Organic Frameworks via Charge-Transfer. Research 2023, 6, 0261.

448 Qi, S. C.; Liu, Y. L.; Lu, X. J.; Zhao, Y. J.; Li, J. X.; Liu, X. Q.; Sun, L. B., Enhanced CO Adsorption by Modulating the Electron Density Distribution of Graphite‐Copper Porphyrin Sorbents with Light. Angewandte Chemie 2023, 135 (27), e202304367.

447 Pan, X.; Wang, Q.; Ma, Z.; Qin, Y.; Lu, X.; Jin, W.; Zhu, Y., Assisting role of water molecules in ionic recognition by 18-crown-6 ether in aqueous solutions. Journal of Molecular Liquids 2023, 371, 121127.

446 Mao, Y.; Xu, J.; Chen, H.; Liu, G.; Liu, Z.; Cheng, L.; Guo, Y.; Liu, G.; Jin, W., Hydrophobic metal-organic framework@ graphene oxide membrane with enhanced water transport for desalination. Journal of Membrane Science 2023, 669, 121324.

445 Ma, F.; Wen, Y.; Fu, P.; Zhang, J.; Tang, Q.; Chen, T.; Luo, W.; Zhou, Y.; Wang, J., Engineering 0D/2D Architecture of Ni (OH) 2 Nanoparticles on Covalent Organic Framework Nanosheets for Selective Visible‐Light‐Driven CO2 Reduction. Small 2023, 2305767.

444 Ma, F.; Tang, Q.; Xi, S.; Li, G.; Chen, T.; Ling, X.; Lyu, Y.; Liu, Y.; Zhao, X.; Zhou, Y., Benzimidazole-based covalent organic framework embedding single-atom Pt sites for visible-light-driven photocatalytic hydrogen evolution. Chinese Journal of Catalysis 2023, 48, 137-149.

443 Lu, T.; Xue, F.; Chen, Y.; Zhou, Y.; Gong, Y.; Chen, L., Pore‐scale simulation of the influence of temperature on particle motion based on LBM‐IBM‐DEM method. Hydrological Processes 2023, 37 (9), e14981.

442 Liu, X.; Liu, Y.; Wu, Y.; Dong, S.; Qi, G.; Chen, C.; Xi, S.; Luo, P.; Dai, Y.; Han, Y., Room temperature removal of high-space-velocity formaldehyde boosted by fixing Pt nanoparticles into Beta zeolite framework. Journal of Hazardous Materials 2023, 131848.

441 Liu, T.; Wei, J.; Liu, P.; Shi, H.; Wang, Q.; Yang, Y., Insight into the mechanism of direct N–C coupling in selective catalytic reduction of NO by CO over Ni (111)-supported graphene. Physical Chemistry Chemical Physics 2023, 25 (38), 26185-26195.

440 Liu, R.; Qin, L.; Zhang, Z.; Zhao, L.; Sagan, F.; Mitoraj, M.; Frenking, G., Genuine quadruple bonds between two main-group atoms. Chemical bonding in AeF−(Ae= Be–Ba) and isoelectronic EF (E= B–Tl) and the particular role of d orbitals in covalent interactions of heavier alkaline-earth atoms. Chemical Science 2023, 14 (18), 4872-4887.

439 Liu, Q.; Wang, X.; Guo, Y.; Liu, G.; Zhou, K.-G., Mechanism of ethanol/water reverse separation through a functional graphene membrane: a molecular simulation investigation. Frontiers of Chemical Science and Engineering 2023, 17 (3), 347-357.

438 Liu, M.; Yang, X.; Sun, Q.; Wang, T.; Pei, R.; Yang, X.; Zhao, Y.; Zhao, L.; Frenking, G.; Wang, X., Lewis Acid‐Mediated Radical Stabilization and Dynamic Covalent Bonding: Tunable, Reversible and Photocontrollable. Angewandte Chemie International Edition 2023, 62 (20), e202300068.

437 Liu, G.; Guo, Y.; Chen, C.; Lu, Y.; Chen, G.; Liu, G.; Han, Y.; Jin, W.; Xu, N., Eliminating lattice defects in metal–organic framework molecular-sieving membranes. Nature Materials 2023, 1-8.

436 Li, Y.; Wang, Z.; Shi, X.; Fan, R., Safety analysis of hydrogen leakage accident with a mobile hydrogen refueling station. Process Safety and Environmental Protection 2023, 171, 619-629.

435 Li, Y.; Wang, Z.; Shang, Z.; Fan, R., The investigation of hydrogen released on the mixed jets with an axisymmetric jet and an asymmetric jet. International Journal of Hydrogen Energy 2023.

434 Li, M.; Lu, Z.; Zhang, J.; Chen, L.; Tang, X.; Jiang, Q.; Hu, Q.; Li, L.; Liu, J.; Huang, W., Near‐Infrared‐II Fluorophore with Inverted Dependence of Fluorescence Quantum Yield on Polarity as Potent Phototheranostics for Fluorescence‐Image‐Guided Phototherapy of Tumors. Advanced Materials 2023, 35 (45), 2209647.

433 Li, G.; Zhao, X.; Yue, Q.; Fu, P.; Ma, F.; Wang, J.; Zhou, Y., Reducing dielectric confinement effect in ionic covalent organic nanosheets to promote the visible-light-driven hydrogen evolution. Journal of Energy Chemistry 2023, 82, 40-46.

432 Li, G.; Yue, Q.; Fu, P.; Wang, K.; Zhou, Y.; Wang, J., Ionic Dye Based Covalent Organic Frameworks for Photothermal Water Evaporation. Advanced Functional Materials 2023, 2213810.

431 Kalkuhl, T. L.; Qin, L.; Zhao, L.; Frenking, G.; Hadlington, T. J., On the σ-complex character of bis (gallyl)/digallane transition metal species. Chemical Science 2023, 14 (40), 11088-11095.

430 Jiang, G.; Hu, X.; Sun, L., Electric Field Induced Schottky to Ohmic Contact Transition in Fe3GeTe2/TMDs Contacts. ACS Applied Electronic Materials 2023.

429 Huang, J.; Li, J.; Yan, R.; Qu, Y.; Guo, F.; Shen, L.; Ma, C.-l.; Sun, J.; Li, Z.; Guo, K., Zwitterionic ring-opening polymerization of macrocyclic ethyleneoxy-substituted carbonate: Access to cyclic PEG-like polycarbonate. Chinese Chemical Letters 2023, 108643.

428 Hu, Y.; Hu, X.; Wang, Y.; Lu, C.; Krasheninnikov, A. V.; Chen, Z.; Sun, L., Suppressed Fermi Level Pinning and Wide-Range Tunable Schottky Barrier in CrX3 (X= I, Br)/2D Metal Contacts. The Journal of Physical Chemistry Letters 2023, 14 (11), 2807-2815.

427 Hu, Q.; Xu, H.; Wu, Y.; Jiang, S.; Wang, J.; Zhou, Y., Ionic polyamide boosting Ru efficiency in reductive amination of carbonyl compounds. Materials Chemistry Frontiers 2023, 7 (11), 2266-2276.

426 Guan, K.; Guo, Y.; Li, Z.; Jia, Y.; Shen, Q.; Nakagawa, K.; Yoshioka, T.; Liu, G.; Jin, W.; Matsuyama, H., Deformation constraints of graphene oxide nanochannels under reverse osmosis. Nature Communications 2023, 14 (1), 1016.

425 Gu, Y.; Zhao, A.; Hu, X.; Zong, P.; Pan, L.; Lu, C.; Xu, Z.; Koumoto, K.; Wang, Y.; Wan, C., High thermoelectric properties of shear-exfoliation-derived TiS2-AgSnSe2 nano-composites via ionized impurity scattering. Acta Materialia 2023, 244, 118564.

424 Gu, Y.; Ai, W.; Chen, J.; Zhao, A.; Hu, X.; Zong, P.; Pan, L.; Lu, C.; Wan, C.; Wang, Y., Cellular structured Cu 2 Sn 0.8 Co 0.2 S 3 with enhanced thermoelectric performance realized by liquid-phase sintering. Journal of Materials Chemistry A 2023, 11 (3), 1447-1454.

423 Gao, Y.; Zhou, H.; Yin, J.; Fang, Z.; Liu, H.; Liu, J.; Lu, C.; Xu, Z., Optical properties and thermal stability of Gd1-xNdxBaCo2O5+ δ ceramics for high temperature air-stable solar thermal conversion. Solar Energy 2023, 250, 10-17.

422 Gao, Q.; Li, W.; Liu, P.; Wang, Q.; Yang, Y., Interfacial structures and reactivities of CeO2/Cu (1 1 1) catalyst with strong interfacial interaction and charge transfer. Applied Surface Science 2023, 607, 155118.

421 Du, J.; Jin, Y.; Hou, S.; Jin, R.; Wang, Q. J. C. S. i. C. M., Effect of component characteristics on mechanical properties of asphalt: A molecular dynamics study. 2023.

420 Du, J.; Jin, Y.; Hou, S.; Jin, R.; Wang, Q., Effect of component characteristics on mechanical properties of asphalt: A molecular dynamics study. Case Studies in Construction Materials 2023, 18, e02007.

419 Chen, T.; Ma, F.; Chen, Z.; Xie, M.; Li, T.; Zhou, Y.; Wang, J., Engineering oxygen vacancies of 2D WO3 for visible-light-driven benzene hydroxylation with dioxygen. Chemical Engineering Journal 2023, 468, 143666.

418 Chen, M.; Zhang, Z.; Qiao, Z.; Zhao, L.; Mo, Z., An Isolable Bis (Germylene)‐Stabilized Plumbylone. Angewandte Chemie 2023, 135 (4), e202215146.

417 Chen, M.; Zhang, Z.; Liu, J.; Li, G.; Zhao, L.; Mo, Z., Isolation and Reactivity of Homoleptic Diphosphene Lead Complexes. Angewandte Chemie 2023, e202312837.

416 Chen, J.; Cai, J.; Sha, F.; Sun, W.; Lyu, X.; Chang, Y.; Cao, F.; Zhao, L.; Wu, H.; Ouyang, P., Chemo-enzymatic cascades producing 2, 5-furandicarboxylic acid precursors via d-gluconate “barbell oxidation” and dehydration. Green Chemistry 2023, 25 (18), 7126-7140.

415 Chen, G.; Chen, C.; Guo, Y.; Chu, Z.; Pan, Y.; Liu, G.; Liu, G.; Han, Y.; Jin, W.; Xu, N., Solid-solvent processing of ultrathin, highly loaded mixed-matrix membrane for gas separation. Science 2023, 381 (6664), 1350-1356.

414 Ai, W.; Shi, Y.; Hu, X.; Yang, J.; Sun, L., Tunable Schottky Barrier and Efficient Ohmic Contacts in MSi2N4 (M= Mo, W)/2D Metal Contacts. ACS Applied Electronic Materials 2023, 5 (10), 5606-5613.

413 Zhu, H.; Li, R.; Liu, G.; Pan, Y.; Li, J.; Wang, Z.; Guo, Y.; Liu, G.; Jin, W., Efficient separation of methanol/dimethyl carbonate mixtures by UiO-66 MOF incorporated chitosan mixed-matrix membrane. Journal of Membrane Science 2022, 652, 120473.

412 Zhang, X.; Wei, M.; Wang, Y., Designing sub-nanometer pores for efficient boron removal. Desalination 2022, 533, 115755.

411 Wang, Y.; Kankala, R. K.; Ou, C.; Chen, A.; Yang, Z., Advances in hydrogel-based vascularized tissues for tissue repair and drug screening. Bioactive Materials 2022, 9, 198-220.

410 Pan, Y.; Guo, Y.; Liu, J.; Zhu, H.; Chen, G.; Liu, Q.; Liu, G.; Jin, W., PDMS with tunable side group mobility and its highly permeable membrane for removal of aromatic compounds. Angewandte Chemie International Edition 2022, 61 (6), e202111810.

409 Huang, Q.; Liu, S.; Guo, Y.; Liu, G.; Jin, W., Separation of mono-/di-valent ions via charged interlayer channels of graphene oxide membranes. Journal of Membrane Science 2022, 645, 120212.

408 Gu, Y.; Ai, W.; Pan, L.; Hu, X.; Zong, P.; Chen, C.; Lu, C.; Xu, Z.; Wang, Y., High thermoelectric performance of BiCuSeO via minimizing the electronegativity difference in Bi–O layer. Materials Today Physics 2022, 24, 100688.

407 Cheng, L.; Guo, Y.; Liu, Q.; Liu, G.; Li, R.; Chen, X.; Zeng, H.; Liu, G.; Jin, W., Metal confined in 2D membranes for molecular recognition and sieving towards ethylene/ethane separation. Advanced Materials 2022, 34 (44), 2206349.

406 Chen, Z.; Zou, M.; Li, G.; Liu, X.; Zhou, Y.; Wang, J., Enhancing efficiency of solvent-free oxidation of aromatic alcohols with atmospheric oxygen by POSS-based cationic polymer backbone paired heteropolyanions. Molecular Catalysis 2022, 532, 112735.

405 Chen, T.; Pan, D.; Zhu, J.; Xie, M.; Li, T.; Zhou, Y.; Wang, J., A metal-/additive-free system for oxygen-mediated hydroxylation of benzene over polyfuran-functionalized hydrothermal carbocatalyst. Molecular Catalysis 2022, 528, 112517.

404 Ai, W.; Hu, X.; Yang, J.; Lu, C.; Sun, L., Selective sensing properties and enhanced ferromagnetism in CrI3 monolayer via gas adsorption. Nanotechnology 2022, 34 (6), 065202.

403 Wu, X.; Guo, Y.; Sun, Z.; Xie, F.; Guan, D.; Dai, J.; Yu, F.; Hu, Z.; Huang, Y.-C.; Pao, C.-W., Fast operando spectroscopy tracking in situ generation of rich defects in silver nanocrystals for highly selective electrochemical CO2 reduction. Nature Communications 2021, 12 (1), 660.

402 Wang, Z.; Yuan, J.; Li, R.; Zhu, H.; Duan, J.; Guo, Y.; Liu, G.; Jin, W., ZIF-301 MOF/6FDA-DAM polyimide mixed-matrix membranes for CO2/CH4 separation. Separation and Purification Technology 2021, 264, 118431.

401 Lu, Y.; Huang, L.; Guo, Y.; Yang, X., Theoretical insights into origin of graphene oxide acidity and relating behavior of oxygen-containing groups in water. Carbon 2021, 183, 355-361.

400 Jiang, Q.; Guo, Y.; Xu, Z.; Yang, X., DFT insights into the interfacial chemical behavior of hybrid LDH/GO nanocomposites. The Journal of Physical Chemistry C 2018, 123 (3), 1692-1699.

399 Li, Y.; Wang, Z.; Yin, Z.; Guo, P.; Fan, R., Experimental and computational studies of concentration and flow field variation of syngas released. Environmental Progress & Sustainable Energy, e14281.

398 Zhu, Jinglian; Shi, Rui; Liu, Yana; Zhu, Yunfeng; Zhang, Jiguang; Hu, Xiaohui; Li, Liquan %J Applied Surface Science, 3D interwoven MXene networks fabricated by the assistance of bacterial celluloses as high-performance cathode material for rechargeable magnesium battery. 2020, 528, 146985.

397 Qi, Shi‐Chao; Yu, Yan‐Fei; Yang, Zhi‐Hui; Liu, Xiao‐Ying; Lu, Xiao‐Jie; Liu, Xiao‐Qin; Sun, Lin‐Bing %J AIChE Journal, Active sites modulation with Runge‐Gross theorem: CO2 capture by porphyrinic metal‐organic frameworks at excited states. e17994.

396 Ma, Zhongliang; Zhao, Yingyan; Wu, Zhaohui; Tang, Qinke; Ni, Jinlian; Zhu, Yunfeng; Zhang, Jiguang; Liu, Yana; Zhang, Yao; Li, Hai-Wen %J Nano Research, Air-stable magnesium nickel hydride with autocatalytic and self-protective effect for reversible hydrogen storage. 2022, 1-8.

395 Qin, Yao; You, Yajing; Jin, Guangzheng; Zhu, Wei; Zhu, Yudan; Wang, Qiutian; Lu, Xiaohua; Shi, Yijun %J AIChE Journal, Atomistic insight into the lubrication of glycerol aqueous solution: The role of the solid interface‐induced microstructure of fluid molecules. 2022, 68 (4), e17581.

394 Fang, Wei; Pan, Sudip; Su, Wei; Wang, Shuao; Zhao, Lili; Frenking, Gernot; Zhu, Congqing %J CCS Chemistry, Complex featuring two double dative bonds between carbon (0) and uranium. 2022, 4 (6), 1921-1929.

393 Xu, Xiaosong; Zhang, Renfa; Xia, Wenxin; Ma, Peng; Ma, Congming; Pan, Yong; Jiang, Juncheng %J Computational; Chemistry, Theoretical, Density functional theory study of CL-20/Nitroimidazoles energetic cocrystals in an external electric field. 2022, 1209, 113607.

392 Jia, Zhihong; Xing, Yuan; Ning, Yaru; Ding, Lipeng; Ehlers, FJH; Hao, Longlong; Liu, Qing %J Scripta Materialia, Density gradient segregation of Cu at the Si2Hf/Al interface in an Al-Si-Cu-Hf alloy. 2023, 222, 115022.

391 Zhang, Xin; Wei, Mingjie; Wang, Yong %J Desalination, Designing sub-nanometer pores for efficient boron removal. 2022, 533, 115755.

390 Ma, Qianli; Sun, Xu; Wang, Weili; Yang, Dongliang; Yang, Cangjie; Shen, Qian; Shao, Jinjun %J Chinese Chemical Letters, Diketopyrrolopyrrole‐derived organic small molecular dyes for tumor phototheranostics. 2022, 33 (4), 1681-1692.

389 Li, Ran; Yao, Lei; Wang, Yan-Bo; Zhu, Jun-Yan; Zhang, Lixiong; Fu, Ji-Ya; Zhang, Chuan-Bao; Zhao, Lili %J Organic Letters, Divergent Metal-Free [4+ 2] Cascade Reaction of 1-Indanylidenemalononitrile with 3-Benzylidenebenzofuran-2 (3 H)-one: Access to Spiro-dihydrofluorene-benzofuranone and Axially Chiral Fluorenylamine-phenol Derivatives. 2021, 23 (15), 5611-5615.

388 Gao, Haiguang; Shao, Yuting; Shi, Rui; Liu, Yana; Zhu, Jinglian; Liu, Jiangchuan; Zhu, Yunfeng; Zhang, Jiguang; Li, Liquan; Hu, Xiaohui %J ACS Applied Materials; Interfaces, Effect of Few-Layer Ti3C2T x Supported Nano-Ni via Self-Assembly Reduction on Hydrogen Storage Performance of MgH2. 2020, 12 (42), 47684-47694.

387 Li, Yunyu; Jiang, Yiming; Pan, Xuhai; Wang, Zhilei; Hua, Min; Wang, Qingyuan; Ta, La; Jiang, Juncheng %J Fuel, Effects of the arc-shaped corner on the shock wave and self-ignition induced by sudden release of pressurized hydrogen. 2021, 303, 121294.

386 Liu, Zhibing; Liu, Jiangchuan; Wu, Zhaohui; Tang, Qinke; Zhu, Yunfeng; Zhang, Jiguang; Liu, Yana; Zhang, Yao; Ba, Zhixin; Hu, Xiaohui %J Journal of Alloys; Compounds, Enhanced hydrogen sorption kinetics of MgH2 catalyzed by a novel layered Ni/Al2O3 hybrid. 2022, 895, 162682.

385 Gao, Haiguang; Shi, Rui; Liu, Yana; Zhu, Yunfeng; Zhang, Jiguang; Hu, Xiaohui; Li, Liquan %J Applied Surface Science, Enhanced hydrogen storage performance of magnesium hydride with incompletely etched Ti3C2Tx: The nonnegligible role of Al. 2022, 600, 154140.

384 Zhao, Yaqing; Gu, Yan; Zhang, Peng; Hu, Xiaohui; Wang, Yifeng; Zong, Peng’An; Pan, Lin; Lyu, Yinong; Koumoto, Kunihito %J Science; Materials, Technology of Advanced, Enhanced thermoelectric performance in polymorphic heavily Co-doped Cu2SnS3 through carrier compensation by Sb substitution. 2021, 22 (1), 363-372.

383 Yang, Qiang; Hu, Xiaohui; Shen, Xiaodong; Krasheninnikov, Arkady V; Chen, Zhongfang; Sun, Litao %J ACS Applied Materials; Interfaces, Enhancing Ferromagnetism and tuning electronic properties of CrI3 monolayers by adsorption of transition-metal atoms. 2021, 13 (18), 21593-21601.

382 Jiang, Yiming; Pan, Xuhai; Zhang, Tao; Wang, Zhilei; Wang, Qingyuan; Ta, La; Li, Yunyu; Hua, Min; Zhang, Bin; Jiang, Juncheng %J Process Safety; Protection, Environmental, Experimental study on pressure and flow characteristics of self-ignition hydrogen flowing into the unconfined space. 2022, 159, 120-132.

381 Gu, Yan; Ai, Wen; Pan, Lin; Hu, Xiaohui; Zong, Pengan; Chen, Changchun; Lu, Chunhua; Xu, Zhongzi; Wang, Yifeng %J Materials Today Physics, High thermoelectric performance of BiCuSeO via minimizing the electronegativity difference in Bi–O layer. 2022, 24, 100688.

380 Ding, Chengxiang; Yao, Lei; Zhao, Lili; Frenking, Gernot %J Physical Chemistry Chemical Physics, How to capture C 2 O 2: structures and bonding of neutral and charged complexes [(NHC)–C 2 O 2–(NHC)] q (NHC= N-heterocyclic carbene; q= 0, 1+, 2+). 2022, 24 (27), 16732-16745.

379 He, Wei; Zhang, Congcong; Zhang, Wenyan; Zhu, Yuchen; Fang, Zheng; Zhao, Lili; Guo, Kai %J Chemical Engineering Science, The integration of catalyst design and process intensification in the efficient synthesis of 5-hydroxymethyl-2-furancarboxylic acid from fructose. 2021, 245, 116858.

378 Ding, Lipeng; Weng, Yaoyao; Jia, Zhihong; Zang, Ruojin; Xiang, Kaiyun; Liu, Qing; Nagaum, Hiromi %J Philosophical Magazine, Interactive transformation mechanisms of multiple metastable precipitates in a Si-rich Al-Mg-Si alloy. 2022, 102 (16), 1602-1627.

377 Gao, Haiguang; Shi, Rui; Zhu, Jinglian; Liu, Yana; Shao, Yuting; Zhu, Yunfeng; Zhang, Jiguang; Li, Liquan; Hu, Xiaohui %J Applied Surface Science, Interface effect in sandwich like Ni/Ti3C2 catalysts on hydrogen storage performance of MgH2. 2021, 564, 150302.

376 Liao, Decai; Xu, Zhaoqin; Wei, Mingjie; Wang, Yong %J Molecular Simulation, Interference mechanism of cations on transport of lithium and magnesium inside COF nanofiltration membranes. 2022, 48 (15), 1369-1377.

375 Cai, Jinbo; Lu, Linghong; Zhu, Jiabao; Weng, Zhengsong %J Journal of Molecular Liquids, Ionic-liquid-gated porous graphene membranes for efficient CO2/CH4 separation. 2022, 358, 119148.

374 Liu, Jian; Bollmeyer, Melissa M; Kim, Yujeong; Xiao, Dengmengfei; MacMillan, Samantha N; Chen, Qi; Leng, Xuebing; Kim, Sun Hee; Zhao, Lili; Lancaster, Kyle M %J Journal of the American Chemical Society, An Isolable Mononuclear Palladium (I) Amido Complex. 2021, 143 (28), 10751-10759.

373 Huang, Runfeng; Cai, Jiali; Yao, Lei; Bai, Yuna; Guo, Kai; Zhao, Lili %J Journal of Computational Chemistry, Mechanistic study of cobalt (I)‐catalyzed asymmetric coupling of ethylene and enynes to functionalized cyclobutanes. 2022, 43 (7), 440-447.

372 Cai, Jiali; Zhi, Minna; Hu, Junyuan; Pu, Tingting; Guo, Kai; Zhao, Lili %J RSC advances, Mechanistic study of the bismuth mediated fluorination of arylboronic esters and further rational design. 2022, 12 (37), 24208-24216.

371 Huang, Hengming; Hu, Kan; Xue, Chen; Wang, Zhiliang; Fang, Zhenggang; Zhou, Ling; Sun, Menglong; Xu, Zhongzi; Kou, Jiahui; Wang, Lianzhou %J Journal of Materials Science; Technology, Metal-free π-conjugated hybrid g-C3N4 with tunable band structure for enhanced visible-light photocatalytic H2 production. 2021, 87, 207-215.

370 Zhang, Xin; Shi, Xianghui; Pan, Yong; Jiang, Juncheng %J Journal of Analytical; Pyrolysis, Applied, Microscopic pyrolysis mechanism of tert-butyl hydroperoxide via ReaxFF molecular dynamics. 2022, 168, 105727.

369 Jin, Guangzheng; Song, Xinyao; Gao, Qingwei; Zhang, Yumeng; Chen, Yifeng; Lu, Xiaohua; Zhu, Yudan %J Industrial; Research, Engineering Chemistry, Molecular Understanding of the Solid Interface-Induced Microstructures of 1-Hexyl-3-methylimidazolium Bis (trifluoromethylsulfonyl) imide in Gas Absorption. 2022, 61 (10), 3754-3765.

368 Zhang, Tao; Jiang, Yiming; Wang, Shiqi; Pan, Xuhai; Hua, Min; Wang, Zhilei; Wang, Qingyuan; Li, Yunyu; Jiang, Juncheng %J International Journal of Hydrogen Energy, Numerical study on the flow characteristics of pressurized hydrogen leaking into the confined space through different shaped orifices. 2022, 47 (83), 35527-35539.

367 Gao, Haiguang; Shi, Rui; Shao, Yuting; Liu, Yana; Zhu, Yunfeng; Zhang, Jiguang; Hu, Xiaohui; Li, Liquan; Ba, Zhixin %J Journal of Alloys; Compounds, One-step self-assembly of TiO2/MXene heterostructures for improving the hydrogen storage performance of magnesium hydride. 2022, 895, 162635.

366 Yang, Dongliang; Sun, Liguo; Xue, Lei; Wang, Xiaorui; Hu, Yanling; Shao, Jinjun; Fu, Ling; Dong, Xiaochen %J Journal of Innovative Optical Health Sciences, Orthogonal Aza-BODIPY–BODIPY dyad as heavy-atom free photosensitizer for photo-initiated antibacterial therapy. 2022, 15 (01), 2250004.

365 Xiang, Kaiyun; Ding, Lipeng; Jia, Zhihong; Yang, Xiaofang; Liu, Qing; Hao, Zhang %J Scripta Materialia, Phase transition induced by synchroshear in Al-Zn-Mg-Cu alloy. 2022, 212, 114577.

364 Zhang, Yajun; Jiang, Dandan; Fang, Zheng; Zhu, Ning; Sun, Naixian; He, Wei; Liu, Chengkou; Zhao, Lili; Guo, Kai %J Chemical Science, Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications. 2021, 12 (27), 9432-9441.

363 Jiang, Yiming; Pan, Xuhai; Cai, Qiong; Wang, Zhilei; Klymenko, Oleksiy V; Hua, Min; Wang, Qingyuan; Zhang, Tao; Li, Yunyu; Jiang, Juncheng %J Renewable Energy, Physics and flame morphology of supersonic spontaneously combusting hydrogen spouting into air. 2022, 196, 959-972.

362 Ding, Jing; Wang, Peiru; He, Yuting; Cheng, Linyan; Li, Xue; Fang, Cheng; Li, Hongping; Wan, Hui; Guan, Guofeng %J Applied Catalysis B: Environmental, Porous sulfonyl binuclear carbonate poly (ionic liquid) s for one-pot fixation of diluted CO2 into dimethyl carbonate. 2023, 324, 122278.

361 Weng, Zhengsong; Zhu, Jiabao; Lu, Linghong; Ma, Yi; Cai, Jinbo %J Journal of Applied Electrochemistry, Regulation of the electric double-layer capacitance of MoS2/ionic liquid by carbon modification. 2022, 1-15.

360 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng %J Journal of Materials Chemistry A, Remarkable thermoelectric property enhancement in Cu 2 SnS 3–CuCo 2 S 4 nanocomposites via 3D modulation doping. 2021, 9 (31), 16928-16935.

359 Li, Yu‐Xia; Zhong, Wen; Zhou, Jin‐Jian; Qi, Shi‐Chao; Liu, Xiao‐Qin; Sun, Lin‐Bing %J Angewandte Chemie International Edition, Reversible Light‐Controlled CO Adsorption via Tuning π‐Complexation of Cu+ Sites in Azobenzene‐Decorated Metal‐Organic Frameworks. 2022, 61 (46), e202212732.

358 Wang, Zhichao; Ma, Qianli; Huang, Xuan; Zhang, Tian; Shao, Jiawei; Zhang, Xinglin; Shen, Qian; Wang, Xiaochen; Shao, Jinjun %J Chinese Chemical Letters, S/Se-embedded acenaphthylene-imide-containing polycyclic heteroaromatic hydrocarbon. 2022, 33 (1), 271-275.

357 Ai, Wen; Hu, Xiaohui; Yang, Jian; Lu, Chunhua; Sun, Litao %J Nanotechnology, Selective sensing properties and enhanced ferromagnetism in CrI3 monolayer via gas adsorption. 2022, 34 (6), 065202.

356 Xia, Wenxin; Zhang, Renfa; Xu, Xiaosong; Ma, Peng; Ma, Congming %J Computational; Chemistry, Theoretical, Spectroscopic features and electronic properties on tetrazole-based energetic cocrystals under external electric field. 2022, 1214, 113802.

355 Zhao, Meihua; Cao, Jun; Xu, Jiani; Xia, Wenxin; Xu, Xiaosong; Zhang, Renfa; Ma, Peng; Ma, Congming %J Journal of Molecular Modeling, Structural transformation of methyl urotropine perchlorate under high pressure. 2022, 28 (9), 251.

354 Xu, Xiaosong; Zhang, Renfa; Xia, Wenxin; Ma, Peng; Ma, Congming %J Journal of Molecular Graphics; Modelling, Study on regulation effect of external electric field on energetic material 1-methyl-2, 4, 5-Trinitroimidazole. 2022, 116, 108237.

353 Feng, Xiangyang; Li, Jun; Yang, Zhuhong %J Catalysts, Substituent’s Effects of PNP Ligands in Ru (II)-Catalyzed CO2 Hydrogenation to Formate: Theoretical Analysis Considering Steric Hindrance and Promotion of Hydrogen Bonding. 2022, 12 (7), 760.

352 Liu, Jiangchuan; Zhang, Mengchen; Tang, Qinke; Zhao, Yingyan; Zhang, Jiguang; Zhu, Yunfeng; Liu, Yana; Hu, Xiaohui; Li, Liquan %J Advanced Science, Supra Hydrolytic Catalysis of Ni3Fe/rGO for Hydrogen Generation. 2022, 9 (21), 2201428.

351 Chan, Yi‐Chen; Bai, Yuna; Chen, Wen‐Ching; Chen, Hsing‐Yin; Li, Chen‐Yu; Wu, Ying‐Yann; Tseng, Mei‐Chun; Yap, Glenn PA; Zhao, Lili; Chen, Hsuan‐Ying %J Angewandte Chemie International Edition, Synergistic Catalysis by Brønsted Acid/Carbodicarbene Mimicking Frustrated Lewis Pair‐Like Reactivity. 2021, 60 (36), 19949-19956.

350 Shi, Rui; Zhang, Jiguang; Zhu, Yunfeng; Liu, Yana; Hu, Xiaohui; Zhang, Yao; Su, Wei; Li, Liquan %J Energy; Fuels, Synergistic Catalytic Mechanism between Ni and Carbon Aerogel for Dehydrogenation of Mg-Based Hydrides. 2020, 34 (8), 10232-10240.

349 Ma, Peng; Xu, Xiaosong; Zhang, Renfa; Ma, Congming; Liu, Xuqin; Hao, Lina; Pan, Yong; Jiang, Juncheng %J Thermochimica Acta, Synthesis, thermal hazard analysis and density functional theory study of nitroimidazoles. 2022, 707, 179097.

348 Hao, Lina; Liu, Xuqin; Zhai, Diandian; Ma, Congming; Ma, Peng; Pan, Yong; Jiang, Juncheng %J Journal of Molecular Modeling, Thermodynamic properties, decomposition kinetics of 2-(5-amino-2 H-tetrazol-1-yl)-4-amine-3, 5-dinitropyridine. 2022, 28 (4), 79.

347 Song, Kefan; Ai, Wen; Zhang, Yuan; Zeng, Yating; Yu, Yawei; Qiao, Handan; Liu, Zeyu; Shen, Xiaodong; Hu, Xiaohui; Hu, Xiulan %J Journal of Materials Chemistry A, Three-dimensional self-supported CuCo 2 O 4 nanowires@ NiO nanosheets core/shell arrays as an oxygen electrode catalyst for Li–O 2 batteries. 2021, 9 (5), 3007-3017.

346 Li, Hui; Dai, Hanming; Mei, Anqing; Ruan, Xiaohong; Wang, Weili; Yang, Dongliang; Wang, Wenjun; Zhang, Qi; Dong, Xiaochen; Shao, Jinjun %J Dyes; Pigments, Triphenylamine flanked boron difluoride formazanate for NIR-II fluorescence imaging-guided photothermal therapy. 2022, 205, 110478.

345 Xu-Fan, Chen; Qiang, Yang; Xiao-Hui, Hu %J ACTA PHYSICA SINICA, Tunable electronic and magnetic properties of transition-metal atoms doped CrBr3 monolayer. 2021, 70 (24).

344 Shao, Yuting; Gao, Haiguang; Tang, Qinke; Liu, Yana; Liu, Jiangchuan; Zhu, Yunfeng; Zhang, Jiguang; Li, Liquan; Hu, Xiaohui; Ba, Zhixin %J Applied Surface Science, Ultra-fine TiO2 nanoparticles supported on three-dimensionally ordered macroporous structure for improving the hydrogen storage performance of MgH2. 2022, 585, 152561.

343 Shi, Rui; Yan, Haoxing; Zhang, Jiguang; Gao, Haiguang; Zhu, Yunfeng; Liu, Yana; Hu, Xiaohui; Zhang, Yao; Li, Liquan %J Small, Vacancy‐Mediated Hydrogen Spillover Improving Hydrogen Storage Properties and Air Stability of Metal Hydrides. 2021, 17 (31), 2100852.

342 Xu, Silin; Jiang, Dandan; Peng, Zejun; Hu, Long; Liu, Tao; Zhao, Lili; Zhao, Junfeng %J Angewandte Chemie International Edition, Ynamide‐Mediated Peptide Bond Formation: Mechanistic Study and Synthetic Applications. 2022, 61 (46), e202212247.

341 Qi, Shi-Chao; Lu, Xiao-Jie; Lou, Yin-Cong; Zhou, Rui; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing %J Engineering, Implementing an “Impracticable” Copolymerization to Fabricate a Desired Polymer Precursor for N-doped Porous Carbons. 2022, 16, 154-161.

340 Qi, Shi‐Chao; Yu, Yan‐Fei; Yang, Zhi‐Hui; Liu, Xiao‐Ying; Lu, Xiao‐Jie; Liu, Xiao‐Qin; Sun, Lin‐Bing %J AIChE Journal, Active sites modulation with Runge‐Gross theorem: CO2 capture by porphyrinic metal‐organic frameworks at excited states. e17994.

339 Li, Yongjun; Wang, Zhirong; Shi, Xuemeng; Fan, Rujia %J Process Safety; Protection, Environmental, Safety analysis of hydrogen leakage accident with a mobile hydrogen refueling station. 2023.

338 Ding, Lipeng; Ji, Chen; Lu, Chang; Zang, Ruojin; Weng, Yaoyao; Liu, Qing; Jia, Zhihong %J Materials Characterization, Study of the precipitate evolution mechanism in an Al-Mg-Si-Cu alloy with Si-rich and low Cu composition. 2022, 191, 112167.

337 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng %J Journal of Materials Chemistry A, Remarkable thermoelectric property enhancement in Cu 2 SnS 3–CuCo 2 S 4 nanocomposites via 3D modulation doping. 2021, 9 (31), 16928-16935.

336 Jiang, Yiming; Pan, Xuhai; Cai, Qiong; Klymenko, Oleksiy V; Hua, Min; Zhang, Tao; Wang, Zhilei; Wang, Qingyuan; Yu, Andong; Jiang, Juncheng %J Process Safety; Protection, Environmental, Effects of the partially open inlet on shock waves and spontaneous ignition during the leakage of hydrogen. 2022, 168, 1089-1100.

335 Wang, Xilin; Song, Zeyang; Pan, Xuhai; Zhang, Lijing; Zhu, Xueliang; Mei, Yu; Jiang, Juncheng %J Journal of Loss Prevention in the Process Industries, Simulation study on near-field structure and flow characteristics of high-pressure CO2 released from the pipeline. 2021, 71, 104481.

334 Ding, Jing; Wang, Peiru; He, Yuting; Cheng, Linyan; Li, Xue; Fang, Cheng; Li, Hongping; Wan, Hui; Guan, Guofeng %J Applied Catalysis B: Environmental, Porous sulfonyl binuclear carbonate poly (ionic liquid) s for one-pot fixation of diluted CO2 into dimethyl carbonate. 2023, 324, 122278.

333 Hao, Lina; Liu, Xuqin; Zhai, Diandian; Ma, Congming; Ma, Peng; Pan, Yong; Jiang, Juncheng %J Journal of Molecular Modeling, Thermodynamic properties, decomposition kinetics of 2-(5-amino-2 H-tetrazol-1-yl)-4-amine-3, 5-dinitropyridine. 2022, 28 (4), 79.

332 McManus, Caitilín; Hicks, Jamie; Cui, Xianlu; Zhao, Lili; Frenking, Gernot; Goicoechea, Jose M; Aldridge, Simon %J Chemical Science, Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide. 2021, 12 (40), 13458-13468.

331 Weng, Zhengsong; Zhu, Jiabao; Lu, Linghong; Ma, Yi; Cai, Jinbo %J Journal of Applied Electrochemistry, Regulation of the electric double-layer capacitance of MoS2/ionic liquid by carbon modification. 2022, 1-15.

330 Huang, Hengming; Xue, Chen; Fang, Zhenggang; Wang, Zhiliang; Luo, Bin; Sun, Menglong; Zhou, Ling; Hu, Kan; Kou, Jiahui; Wang, Lianzhou %J Nano Research, Bridging localized electron states of pyrite-type CoS 2 cocatalyst for activated solar H 2 evolution. 2022, 15, 202-208.

329 Jin, Guangzheng; Song, Xinyao; Gao, Qingwei; Zhang, Yumeng; Chen, Yifeng; Lu, Xiaohua; Zhu, Yudan %J Industrial; Research, Engineering Chemistry, Molecular Understanding of the Solid Interface-Induced Microstructures of 1-Hexyl-3-methylimidazolium Bis (trifluoromethylsulfonyl) imide in Gas Absorption. 2022, 61 (10), 3754-3765.

328 Jin, Qijie; Meng, Xuelu; Ji, Wenyu; Wu, Peng; Xu, Mutao; Zhang, Yaping; Zhu, Chengzhang; Xu, Haitao %J Catalysis Communications, SO2 reduction for sulfur production by CO over Ce-Al-Ox composite oxide catalyst. 2023, 174, 106587.

327 Wang, Zhichao; Peng, Qinqin; Huang, Xuan; Ma, Qianli; Shen, Qian; Shao, Jinjun %J Materials Technology, Linear acenaphthene-imide-fused pyrazinacene-quinone: synthesis and photophysical properties. 2022, 37 (12), 1981-1988.

326 Zhang, Zhiqiang; Chen, Ruijie; Wang, Lei; Chen, Xueru; Ding, Jing; Zhang, Jinfeng; Wan, Hui; Guan, Guofeng %J Applied Surface Science, Synergistic effect of Cu2+ and Cu+ in SrTiO3 nanofibers promotes the photocatalytic reduction of CO2 to methanol. 2023, 609, 155297.

325 Li, Yongjun; Wang, Zhirong; Shi, Xuemeng; Fan, Rujia %J International Journal of Hydrogen Energy, Numerical investigation of the dispersion features of hydrogen gas under various leakage source conditions in a mobile hydrogen refueling station. 2022.

324 Islam, Mohammad Jahedol; Zhang, Yan; Zhao, Liang; Yang, Wentao; Bian, Haowen %J Wear, Material wear of the tool electrode and metal workpiece in electrochemical discharge machining. 2022, 500, 204346.

323 Gu, Yu-Yang; Liu, Guoliang; Qi, Shi-Chao; Gu, Chen; Yang, Tao; Liu, Xiao-Qin; Sun, Lin-Bing %J Nano Research, Photo-switchable Cu+ sites in metal-organic frameworks for adsorptive desulfurization. 2022, 1-6.

322 Li, Yu‐Xia; Zhong, Wen; Zhou, Jin‐Jian; Qi, Shi‐Chao; Liu, Xiao‐Qin; Sun, Lin‐Bing %J Angewandte Chemie International Edition, Reversible Light‐Controlled CO Adsorption via Tuning π‐Complexation of Cu+ Sites in Azobenzene‐Decorated Metal‐Organic Frameworks. 2022, 61 (46), e202212732.

321 Chen, Shiwei; Zhang, Jinliang; Liu, Huilong; Qiu, Tongyue; Tang, Haoxiang; Zhang, Zunmin %J Molecules, Dissipative Particle Dynamics Simulation of the Sensitive Anchoring Behavior of Smectic Liquid Crystals at Aqueous Phase. 2022, 27 (21), 7433.

320 Liu, Guoliang; Cai, Yahui; Yuan, Hongye; Zhang, Jinliang; Zhang, Zunmin; Zhao, Dan %J Journal of Membrane Science, Mesh membranes coated with zirconium metal-organic framework nanosheets of optimized morphology for oil-water separation. 2023, 668, 121077.

319 Feng, Xiangyang; Li, Jun; Yang, Zhuhong %J Catalysts, Substituent’s Effects of PNP Ligands in Ru (II)-Catalyzed CO2 Hydrogenation to Formate: Theoretical Analysis Considering Steric Hindrance and Promotion of Hydrogen Bonding. 2022, 12 (7), 760.

318 Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Huang, Liangliang; Liu, Chang %J Chinese Journal of Chemical Engineering, Hydrogen-bond mediated and concentrate-dependent NaHCO3 crystal morphology in NaHCO3–Na2CO3 aqueous solution: Experiments and computer simulations. 2022.

317 Tegladza, Isaac D; Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Gu, Xuehong; Liu, Chang %J Journal of Crystal Growth, Effect of trace sodium polystyrene sulfonate on the solubility, nucleation and crystallization of thiourea from metastable zone width data. 2022, 598, 126869.

316 Liu, Lifei; Hu, Xiaohui; Wang, Yifeng; Krasheninnikov, Arkady V; Chen, Zhongfang; Sun, Litao %J Nanotechnology, Tunable electronic properties and enhanced ferromagnetism in Cr2Ge2Te6 monolayer by strain engineering. 2021, 32 (48), 485408.

315 Zhang, Xin; Wei, Mingjie; Zhang, Zhe; Shi, Xiansong; Wang, Yong %J Desalination, Boron removal by water molecules inside covalent organic framework (COF) multilayers. 2022, 526, 115548.

314 Liu, Qinguang; Geng, Mei; Yu, Ting; Zhang, Li; Wu, Changdong; Liu, Jie; Zhao, Shulin; Yang, Qingxin; Song, Robin; Ye, Jingjuan %J Nano Research, An ultra-low concentration electrolyte with fluorine-free bulky anions for stable potassium metal batteries. 2022, 1-7.

313 Yang, Dongliang; Sun, Liguo; Xue, Lei; Wang, Xiaorui; Hu, Yanling; Shao, Jinjun; Fu, Ling; Dong, Xiaochen %J Journal of Innovative Optical Health Sciences, Orthogonal Aza-BODIPY–BODIPY dyad as heavy-atom free photosensitizer for photo-initiated antibacterial therapy. 2022, 15 (01), 2250004.

312 Wang, Xinye; Zhang, Yifan; Yu, Ze; Wu, Yuan; Wang, Dongdong; Wu, Chuanming; Ma, Huili; Ning, Shuya; Dong, Hua; Wu, Zhaoxin %J Journal of Materials Chemistry C, Overcoming energy loss of thermally activated delayed fluorescence sensitized-OLEDs by developing a fluorescent dopant with a small singlet–triplet energy splitting. 2022, 10 (5), 1681-1689.

311 Li, Xue; Wu, Jun; Hou, Tianjiao; Li, Hongping; Wang, Lei; Ding, Jing; Wan, Hui; Guan, Guofeng %J Journal of Molecular Structure, Synthesis and characterization of hypergolic salts based on bis (1H-1, 2, 3-triazole-1-yl) dihydroborate anion. 2022, 1261, 132850.

310 Li, Xue; Wu, Jun; Fang, Fan; Li, Hongping; Wang, Lei; Wan, Hui; Guan, Guofeng %J Molecules, Preparation of the 1-Methylimidazole Borane/Tetrazole System for Hypergolic Fuels. 2022, 27 (14), 4466.

309 Li, Xingye; Lu, Tian; Nan, Jiayu; Li, Haibo; Nie, Fude; Zhang, Yan‐Qiang; Chen, Fu‐Xue %J ChemistrySelect, Hydrophobic Hydrolytic‐Stable N‐Alkylimidazole‐Cyanoborane Complexes as Ultrafast‐Igniting Hypergolic Fuels. 2018, 3 (9), 2548-2552.

308 Li, Xue; Zhang, Yin; Li, Hongping; Ding, Jing; Wan, Hui; Guan, Guofeng %J RSC advances, Synthesis of asymmetric [bis (imidazolyl)-BH 2]+-cation-based ionic liquids as potential rocket fuels. 2021, 11 (60), 38040-38046.

307 He, Yuting; Li, Xue; Cai, Wenyi; Lu, Huimin; Ding, Jing; Li, Hongping; Wan, Hui; Guan, Guofeng %J ACS Sustainable Chemistry; Engineering, One-pot multiple-step integration strategy for efficient fixation of CO2 into chain carbonates by azolide anions poly (ionic liquid) s. 2021, 9 (20), 7074-7085.

306 He, Yuting; Li, Xue; Li, Hongping; Ding, Jing; Wan, Hui; Guan, Guofeng %J ACS Sustainable Chemistry; Engineering, Understanding the Ingenious Dual Role-Playing of CO2 in One-Pot Pressure-Swing Synthesis of Linear Carbonate. 2022, 10 (7), 2556-2568.

305 He, Yuting; Lu, Huimin; Li, Xue; Wu, Jun; Pu, Tiancheng; Du, Wei; Li, Hongping; Ding, Jing; Wan, Hui; Guan, Guofeng %J Green Chemistry, Insight into the reversible behavior of Lewis–Brønsted basic poly (ionic liquid) s in one-pot two-step chemical fixation of CO 2 to linear carbonates. 2021, 23 (21), 8571-8580.

304 He, Yuting; Jiang, Ding; Li, Xue; Ding, Jing; Li, Hongping; Wan, Hui; Guan, Guofeng %J Journal of CO2 Utilization, Efficient fixation of CO2 into carbonates by tertiary N-functionalized poly (ionic liquids): Experimental-theoretical investigation. 2021, 44, 101427.

303 Sun, Mingdong; Pan, Dongxin; Ye, Tingting; Gu, Jing; Zhou, Yu; Wang, Jun %J Chinese Journal of Chemical Engineering, Ionic porous polyamide derived N-doped carbon towards highly selective electroreduction of CO2. 2022.

302 Chen, Tao; Pan, Dongxin; Zhu, Jie; Xie, Menglin; Li, Ting; Zhou, Yu; Wang, Jun %J Molecular Catalysis, A metal-/additive-free system for oxygen-mediated hydroxylation of benzene over polyfuran-functionalized hydrothermal carbocatalyst. 2022, 528, 112517.

301 Zhang, Xin; Pan, Yong; Ni, Yuqing; Shi, Xianghui; Jiang, Juncheng %J Process Safety; Protection, Environmental, Atomistic insights into the pyrolysis of methyl ethyl ketone peroxide via ReaxFF molecular dynamics simulation. 2022, 161, 316-324.

300 Zhao, Zhihao; Chen, Changchun; Wang, Jian; Cheng, Cheng; Tang, Zhonghai; Zhu, Xinhui; Wang, Yifeng; Pan, Lin; Ni, Yaru %J Journal of Environmental Chemical Engineering, Fabrication of CsPbBr3 nanocrystals/Bi2MoO6 nanosheets composites with S-scheme heterojunction for enhanced photodegradation of organic pollutants under visible light irradiation. 2022, 10 (4), 108152.

299 Chen, Zhongwei; Guo, Yong; Chu, Yanpeng; Chen, Tingting; Zhang, Qingwu; Li, Changxin; Jiang, Juncheng; Chen, Tao; Yu, Yuan; Liu, Lianxiang %J Composites Part B: Engineering, Solvent-free and electron transfer-induced phosphorus and nitrogen-containing heterostructures for multifunctional epoxy resin. 2022, 240, 109999.

298 Dai, Baolian; Tong, Yan; Hu, Qi; Chen, Zheng %J Energy, Characteristics of thermal stratification and its effects on HVAC energy consumption for an atrium building in south China. 2022, 249, 123425.

297 Hong, Yiqun; Chen, Liping; Gong, Yanfeng; Wang, Shiling; Zhou, Yanjie %J Asia‐Pacific Journal of Chemical Engineering, Study on the effect of ionic strength on particle migration and deposition in porous media covered by biofilm based on coupled Lattice Boltzmann method and Discrete element method. 2022, 17 (3), e2782.

296 Jiang, Tao; Min, Hao; Zou, Renmeng; Wang, Mingchao; Wen, Kaichuan; Lai, Jingya; Xu, Lei; Wang, Ying; Xu, Wenjie; Wang, Chengcheng %J The Journal of Physical Chemistry Letters, Molecularly controlled quantum well width distribution and optoelectronic properties in quasi-2D perovskite light-emitting diodes. 2022, 13 (18), 4098-4103.

295 Li, Guo Qing; Dong, Shu; Fu, Ping; Yue, Qi Hong; Zhou, Yu; Wang, Jun %J Green Chemistry, Synthesis of porous poly (ionic liquid) s for chemical CO2 fixation with epoxides. 2022.

294 Sun, Mingdong; Bian, Zhengyun; Cui, Weiwei; Zhao, Xiaolong; Dong, Shu; Ke, Xuebin; Zhou, Yu; Wang, Jun %J Chinese Journal of Chemical Engineering, Pyrolyzing soft template-containing poly (ionic liquid) into hierarchical N-doped porous carbon for electroreduction of carbon dioxide. 2022, 43, 192-201.

293 Hu, Qizhi; Jiang, Shi; Wu, Yue; Xu, Hongzhong; Li, Guoqing; Zhou, Yu; Wang, Jun %J ChemSusChem, Ambient‐Temperature Reductive Amination of 5‐Hydroxymethylfurfural Over Al2O3‐Supported Carbon‐Doped Nickel Catalyst. 2022, 15 (13), e202200192.

292 Chen, Tao; Ye, Tingting; Zhu, Jie; Li, Guoqing; Chen, Zhe; Xie, Menglin; Zhou, Yu; Wang, Jun %J Applied Catalysis A: General, Small-sized biomass-derived hydrothermal carbon with enriched oxygen groups quickens benzene hydroxylation to phenol with dioxygen. 2021, 626, 118356.

291 He, Yongmin; Liu, Liren; Zhu, Chao; Guo, Shasha; Golani, Prafful; Koo, Bonhyeong; Tang, Pengyi; Zhao, Zhiqiang; Xu, Manzhang; Zhu, Chao %J Nature Catalysis, Amorphizing noble metal chalcogenide catalysts at the single-layer limit towards hydrogen production. 2022, 5 (3), 212-221.

290 Ni, Qin; Zhang, Yan; Zhou, Kebing; Wang, Guoqian; Ji, Lei; Yang, Wentao %J The International Journal of Advanced Manufacturing Technology, Prediction and analysis of EDM performances considering random multiple-pulse discharges based on geometric optimization modeling. 2022, 120 (5-6), 4123-4138.

289 Qian, Binbin; Liu, Huiling; Ma, Bing; Wang, Qianqian; Lu, Jun; Hu, Yueyang; Tang, Yuneng; Liu, Cheng; Dai, Baiqian %J Journal of Cleaner Production, Bulk trash to nano treasure: Synthesis of two-dimensional brucite nanosheet from high-magnesium nickel slag. 2022, 333, 130196.

288 Zhai, Diandian; Ma, Congming; Ma, Peng; Pan, Yong; Hao, Lina; Liu, Xuqin; Jiang, Juncheng %J Fuel, Theoretical insight into different energetic groups on the performance of energetic materials featuring RDX ring. 2021, 294, 120497.

287 He, Tengfei; Zhang, Teng; Wang, Zhirong; Cai, Qiong %J Applied Energy, A comprehensive numerical study on electrochemical-thermal models of a cylindrical lithium-ion battery during discharge process. 2022, 313, 118797.

286 Wang, Jiacheng; Zhang, Jiaqi; Hong, Zhou; Gao, Xuechao; Gu, Xuehong %J Industrial; Research, Engineering Chemistry, A coupling process of distillation with vapor permeation and adsorption for production of fuel ethanol: A comparative analysis on energy consumption. 2022, 61 (2), 1167-1178.

285 Chen, Zhiyuan; Wang, Hongzhi; Hu, Lai; Zhu, Senqiang; Liu, Rui; Zhu, Hongjun %J Inorganica Chimica Acta, Pt (II) diimine complexes bearing varied alkyl chains: Synthesis, tunable photophysical properties and aggregation-induced optical power limiting enhancement. 2022, 531, 120714.

284 Gong, Lin-Quan; Li, Li; Pan, Yue; Jiang, Jia-Jia; Jiang, Jun-Cheng %J Thermochimica Acta, Thermal hazards and initial decomposition mechanisms study of four tert-butyl organic peroxides combining experiments with density functional theory method. 2022, 708, 179142.

283 Li, Sheng; Zhuang, Haiyang; Wang, Wei; Jin, Liguo; Dong, Zhengfang %J Shock; Vibration, Effect of Different Types of Middle Columns on the Seismic Performance of Single-Story Subway Station Structure. 2021, 2021, 1-18.

282 Cheng, Cheng; Wang, Jian; Zhao, Zhihao; Chen, Changchun; Cui, Sheng; Wang, Yifeng; Pan, Lin; Ni, Yaru; Lu, Chunhua %J Journal of Alloys; Compounds, S-scheme SrTiO3/porous ZnO derived by pyrolysis of ZIF-8 composite with efficient photocatalytic activity for pollutant degradation. 2022, 896, 163064.

281 Zhou, Yanjie; Chen, Liping; Gong, Yanfeng; Wang, Shilin %J Processes, Pore-scale simulations of particles migration and deposition in porous media using LBM-DEM coupling method. 2021, 9 (3), 465.

280 Liu, Tian; Liu, Zhangyong; Tang, Lipeng; Li, Jun; Yang, Zhuhong %J Catalysts, Trans Influence of Boryl Ligands in CO2 Hydrogenation on Ruthenium Complexes: Theoretical Prediction of Highly Active Catalysts for CO2 Reduction. 2021, 11 (11), 1356.

279 Yu, Jie; Guo, Yanan; Miao, Shuanshuan; Ni, Meng; Zhou, Wei; Shao, Zongping %J ACS applied materials; interfaces, Spherical ruthenium disulfide-sulfur-doped graphene composite as an efficient hydrogen evolution electrocatalyst. 2018, 10 (40), 34098-34107.

278 Ding, Riqing; Qin, Ke; Sun, Huili; Zhou, Shasha; Guo, Sidan; Feng, Hui; Ma, Huili; Qian, Zhaosheng %J Journal of Materials Chemistry C, Endowing nitro-compounds with bright and stimuli-responsive luminescence based on propeller-like AIEgens. 2021, 9 (36), 12177-12183.

277 Sun, Weiwei; Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Huang, Liangliang; Liu, Chang %J ChemistrySelect, Crystallization of Sodium Bicarbonate in the Presence of Trace Amounts of HPMA. 2021, 6 (9), 2184-2188.

276 Sun, Yu; Chen, Mei %J Journal of Sound; Vibration, Modelling of periodic slab track using time-frequency hybrid Green's function method and its application to vehicle-track dynamic interaction. 2021, 511, 116327.

275 Cheng, Zijin; Zhang, Tian; Wang, Weili; Shen, Qing; Hong, Ying; Shao, Jinjun; Xie, Xiaoji; Fei, Zhenghao; Dong, Xiaochen %J Chinese Chemical Letters, DAD structured selenadiazolesbenzothiadiazole-based near-infrared dye for enhanced photoacoustic imaging and photothermal cancer therapy. 2021, 32 (4), 1580-1585.

274 Zhang, Yongwang; Wang, Lu %J Materials, Research on flashover prediction method of large-space timber structures in a fire. 2021, 14 (19), 5515.

273 Liu, Hao; Wang, Xiaoyuan; Wang, Kai; Zhu, Yalu; Zhu, Yuezhao %J Energy; Buildings, Numerical analysis of ground temperature response characteristics of a space-heating ground source heat pump system by utilizing super-long flexible heat pipes for heat extraction. 2021, 244, 110991.

272 Jing, Yang; Haiyang, Zhuang; Wei, Wang; Zhenghua, Zhou; Guoxing, Chen %J Soil Dynamics; Engineering, Earthquake, Seismic performance and effective isolation of a large multilayered underground subway station. 2021, 142, 106560.

271 Yao, Huicong; Yue, Chaoyu; Wang, Yinfeng; Chen, Haijun; Zhu, Yuezhao %J Case Studies in Thermal Engineering, Numerical investigation of the heat and mass transfer performance of a two-phase closed thermosiphon based on a modified CFD model. 2021, 26, 101155.

270 Qi, Shi-Chao; Liu, Xiao-Ying; Zhu, Rong-Rong; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing %J Chemical Engineering Journal, Causation of catalytic activity of Cu-ZnO for CO2 hydrogenation to methanol. 2022, 430, 132784.

269 Qi, Shi-Chao; Yang, Zhi-Hui; Zhu, Rong-Rong; Lu, Xiao-Jie; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing %J Journal of Materials Chemistry A, The cascade catalysis of the porphyrinic zirconium metal–organic framework PCN-224-Cu for CO 2 conversion to alcohols. 2021, 9 (43), 24510-24516.

268 Wan, Jingmeng; Nian, Mengjie; Yang, Chao; Ge, Kai; Liu, Junjie; Chen, Zhiquan; Duan, Jingui; Jin, Wanqin %J Journal of Membrane Science, Interface regulation of mixed matrix membranes by ultrathin MOF nanosheet for faster CO2 transfer. 2022, 642, 119991.

267 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng %J Journal of Materials Chemistry A, Remarkable thermoelectric property enhancement in Cu 2 SnS 3–CuCo 2 S 4 nanocomposites via 3D modulation doping. 2021, 9 (31), 16928-16935.

266 Huang, Hengming; Xue, Chen; Fang, Zhenggang; Wang, Zhiliang; Luo, Bin; Sun, Menglong; Zhou, Ling; Hu, Kan; Kou, Jiahui; Wang, Lianzhou %J Nano Research, Bridging localized electron states of pyrite-type CoS 2 cocatalyst for activated solar H 2 evolution. 2022, 15, 202-208.

265 Chen, Tao; Ye, Tingting; Zhu, Jie; Li, Guoqing; Chen, Zhe; Xie, Menglin; Zhou, Yu; Wang, Jun %J Applied Catalysis A: General, Small-sized biomass-derived hydrothermal carbon with enriched oxygen groups quickens benzene hydroxylation to phenol with dioxygen. 2021, 626, 118356.

264 Yu, Qing; Huang, Xuan; Zhang, Tian; Wang, Weili; Yang, Dongliang; Shao, Jinjun; Dong, Xiaochen %J Chemical Research in Chinese Universities, Near-infrared Aza-BODIPY dyes through molecular surgery for enhanced photothermal and photodynamic antibacterial therapy. 2021, 37 (4), 951-959.

263 Sun, Mingdong; Bian, Zhengyun; Cui, Weiwei; Zhao, Xiaolong; Dong, Shu; Ke, Xuebin; Zhou, Yu; Wang, Jun %J Chinese Journal of Chemical Engineering, Pyrolyzing soft template-containing poly (ionic liquid) into hierarchical N-doped porous carbon for electroreduction of carbon dioxide. 2022, 43, 192-201.

262 Yin, Zheng; Gu, Mingxing; Ma, Huili; Jiang, Xueyan; Zhi, Jiahuan; Wang, Yafei; Yang, Huifang; Zhu, Weiguo; An, Zhongfu %J Angewandte Chemie, Molecular engineering through control of structural deformation for highly efficient ultralong organic phosphorescence. 2021, 133 (4), 2086-2091.

261 Liu, Quan; Cheng, Long; Liu, Gongping %J Membranes, Enhanced selective hydrogen permeation through graphdiyne membrane: A theoretical study. 2020, 10 (10), 286.

260 Zhao, Lili; Pan, Sudip; Holzmann, Nicole; Schwerdtfeger, Peter; Frenking, Gernot %J Chemical reviews, Chemical bonding and bonding models of main-group compounds. 2019, 119 (14), 8781-8845.

259 Shao, Dong; Jiang, Gang; Zong, Chenfeng; Xing, Yun; Zheng, Zirui; Lv, Shuangshuang %J Soils; Foundations, Global sensitivity analysis of behavior of energy pile under thermo-mechanical loads. 2021, 61 (2), 283-302.

258 Zhao, Jingjing; Cheng, Jianjie; Li, Wei; Fu, Lijun %J International Journal of Multiphase Flow, A numerical analysis of the characteristics of interfacial waves on the onset of flooding in an inclined pipe. 2020, 132, 103400.

257 Huang, Hengming; Hu, Kan; Xue, Chen; Wang, Zhiliang; Fang, Zhenggang; Zhou, Ling; Sun, Menglong; Xu, Zhongzi; Kou, Jiahui; Wang, Lianzhou %J Journal of Materials Science; Technology, Metal-free π-conjugated hybrid g-C3N4 with tunable band structure for enhanced visible-light photocatalytic H2 production. 2021, 87, 207-215.

256 Gao, Xuechao; Li, Zhi; Chen, Cheng; Da, Chao; Liu, Lang; Tian, Sen; Ji, Guozhao, The determination of pore shape and interfacial barrier of entry for light gases transport in amorphous TEOS-Derived silica: A finite element methodACS Applied Materials & Interfaces 2021, 13, 4804–4812

255 Huang, Hengming; Hu, Kan; Xue, Chen; Wang, Zhiliang; Fang, Zhenggang; Zhou, Ling; Sun, Menglong; Xu, Zhongzi; Kou, Jiahui; Wang, Lianzhou; Lu, Chunhua, Metal-free -conjugated hybrid g-C3N4 with tunable band structure for enhanced visible-light photocatalytic H2 productionJournal of Materials Science & Technology 2021, 87, 207–215

254 Zhao, Jingjing; tao, Hanzhong; Cheng, Jianjie; Li, Wei; Fu, Lijun, A numerical analysis of the characteristics of interfacial waves on the onset of flooding in an inclined pipeInternational Journal of Multiphase Flow 2020, 132, 103400

253 Xing, Yun; Shao, Dong; Ma, Xieyao; Zhang, Shuaishuai; Jiang, Gang, Investigation of the importance of different factors of flood inundation modeling applied in urbanized area with variance-based global sensitivity analysisScience of The Total Environment 2021, 772, 145327

252 Shao, Dong; Xing, Yun; Zheng, Zirui; Jiang, Gang, Investigation of harbor oscillations originated from the vessel-induced bores using methods of autoregressive model and Mahalanobis distanceOcean Engineering 2020, 207, 107385

251 Shao, Dong; Jiang, Gang; Zong, Chenfeng; Xing, Yun; Zheng, Zirui; Lv, Shuangshuang, Global sensitivity analysis of behavior of energy pile under thermo-mechanical loadsSoils and Foundations 2021, 61, 283–302

250 Ambre, Ram; Wang, Ting-Hsuan; Xian, Anmei; Chen, Yu-Shiuan; Liang, Yu-Fu; Jurca, Titel; Zhao, Lili; Ong, Tiow-Gan, Directing group-promoted inert c-o bond activation using versatile boronic acid as a coupling agentChemistry A European Journal 2020, 26, 17021–17026

249 Pan, Sudip; Jana, Gourhari; Saha, Ranajit; Zhao, Lili; Chattaraj, Pratim K., Intriguing structural, bonding and reactivity features in some beryllium containing complexesPhysical Chemistry Chemical Physics 2020, 22, 27476–27495

248 Duan, Jindian; Mao, Yiyang; Xian, Anmei; Rong, Binsen; Xu, Gaochen; Li, Zhenjiang; Zhao, Lili; Zhu, Ning; Guo, Kai, Copper-catalyzed regioselective [32] annulation of malonate-tethered acyl oximes with isatinsChemical Communications 2021, 57, 3379–3382

247 Fu, Mingxing; Pan, Sudip; Zhao, Lili; Frenking, Gernot, Bonding analysis of the shortest bond between two atoms heavier than hydrogen and helium: O22Journal of Physical Chemistry A 2020, 124, 1087–1092

246 Pan, Sudip; Zhao, Lili; Frenking, Gernot, Bonding in m(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, cd, hg NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation stateTheoretical chemistry accounts 2021, 140, nan

245 Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan, Nickel-catalyzed heteroarenes cross coupling via tandem C–H/C–O activationAcs Catalysis 2018, 8, 11368–11376

244 Deng, Guohai; Lei, Shujun; Pan, Sudip; Jin, Jiaye; Wang, Guanjun; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Filling a gap: The coordinatively saturated group 4 carbonyl complexes TM(CO) 8 (TM=Zr, hf) and ti(CO) 7Chemistry A European Journal 2020, 26, 10487–10500

243 Su, Wei; Ma, Yanshun; Xiang, Libo; Wang, Junyi; Wang, Shuao; Zhao, Lili; Frenking, Gernot; Ye, Qing, Isolation of a uranium(III)-Carbon multiple bond complexChemistry A European Journal 2021, 27, 10006–10011

242 Zhu, Jun-Yan; Xu, Ya-Lun; Li, Qianqian; Zhang, Chuan-Bao; Wang, Yan-Bo; Zhang, Lixiong; Fu, Ji-Ya; Zhao, Lili, Monitoring the hierarchical evolution from a double-stranded helix to a well-defined microscopic morphology based on a turbine-like aromatic moleculeACS Omega 2020, 5, 16612–16618

241 Cui, Zhong-hua; Chen, Chen; Wang, Qing; Zhao, Lili; Wang, Meng-hui; Ding, Yi-hong, Inverse sandwich complexes of B7M2-, B8M2, and B9M2 (M = Zr, Hf): the nonclassical M–M bonds embedded in monocyclic boron ringsNew Journal of Chemistry 2020, 44, 17705–17713

240 Cui, Xianlu; Ding, Chengxiang; Zhang, Congcong; Jiao, Zixian; Zhang, Lixiong; Zhao, Xuefei; Zhao, Lili, Computational mechanistic study of brønsted acid-catalyzed unsymmetrical 1,2,4,5-Tetrazines synthesisJournal of Physical Chemistry A 2021, 125, 4715–4726

239 Wang, Qian; Pan, Sudip; Wu, Yan-Bo; Deng, Guohai; Bian, Jian-Hong; Wang, Guanjun; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Transition-metal chemistry of alkaline-earth elements: The trisbenzene complexes M(Bz) 3 (M=Sr, ba)Angewandte Chemie International Edition 2019, 58, 17365–17374

238 Leung, Tsz-Fai; Jiang, Dandan; Wu, Ming-Chun; Xiao, Dengmengfei; Ching, Wei-Min; Yap, Glenn P. A.; Yang, Tao; Zhao, Lili; Ong, Tiow-Gan; Frenking, Gernot, Isolable dicarbon stabilized by a single phosphine ligandNature Chemistry 2020, 13, 89–93

237 Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W., Donor-stabilized Antimony(I) and Bismuth(I) ions: Heavier valence isoelectronic analogues of carbonesJournal of The American Chemical Society 2021, 143, 1301–1306

236 Zhong, Mingdong; Cui, Xianlu; Wu, Botao; Wang, Gao-Xiang; Zhang, Wen-Xiong; Wei, Junnian; Zhao, Lili; Xi, Zhenfeng, Dinitrogen functionalization affording structurally well-defined cobalt diazenido complexesCCS Chem. 2021, 0, 856–863

235 Zhao, Xuefei; Xiao, Dengmengfei; Cui, Xianlu; Chai, Chaoqun; Zhao, Lili, Mechanistic insight into the organocalcium-mediated nucleophilic alkylation of benzene and further rational designCatalysis Science & Technology 2020, 10, 950–958

234 Lin, Changqu; Chai, Chaoqun; Li, Yuanzhang; Chen, Jiao; Lu, Yanyu; Wu, Hongli; Zhao, Lili; Cao, Fei; Chen, Kequan; Wei, Ping; Ouyang, Pingkai, CaCl2 molten salt hydrate-promoted conversion of carbohydrates to 5-hydroxymethylfurfural: an experimental and theoretical studyGreen Chemistry 2021, 23, 2058–2068

233 Cui, Xianlu; Li, Qianqian; Yao, Lei; Ma, Yanshun; Zhang, Lixiong; Zhang, Chuanbao; Zhao, Lili, Mechanistic study of the n-quaternized pyridoxal-catalyzed biomimetic asymmetric mannich reaction: Insights into the origins of enantioselectivity and diastereoselectivityJournal of Organic Chemistry 2021, 86, 6592–6599

232 Deng, Guohai; Pan, Sudip; Dong, Xuelin; Wang, Guanjun; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, CO-Induced dinitrogen fixation and cleavage mediated by boronChemistry A European Journal 2020, 27, 2131–2137

231 Yang, Wenbang; Zhang, Li; Xiao, Dengmengfei; Feng, Rui; Wang, Wenqing; Pan, Sudip; Zhao, Yue; Zhao, Lili; Frenking, Gernot; Wang, Xinping, A diradical based on odd-electron -bondsNature communications 2020, 11, nan

230 Pan, Sudip; Zhao, Lili; Merino, Gabriel, Improvement in hydrogen binding ability of closo-dicarboranes via functionalization and designing of extended frameworksJournal of molecular modeling 2018, 24, nan

229 Chi, Chaoxian; Pan, Sudip; Jin, Jiaye; Meng, Luyan; Luo, Mingbiao; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Octacarbonyl ion complexes of actinides [An(CO) 8 ] /- (An=Th, u) and the role of f orbitals in Metal–Ligand bondingChemistry A European Journal 2019, 25, 11772–11784

228 Jiang, Dandan; Li, Xiaojun; Cai, Jiali; Bai, Yuna; Zhang, Lixiong; Zhao, Lili, Mechanistic study of the cooperative palladium/Lewis acid-catalyzed transfer hydrocyanation reaction: the origin of the regioselectivityDalton Transactions 2021, 50, 1233–1238

227 Cui, Haiyan; Xiao, Dengmengfei; Zhang, Li; Ruan, Huapeng; Fang, Yong; Zhao, Yue; Tan, Gengwen; Zhao, Lili; Frenking, Gernot; Driess, Matthias; Wang, Xinping, Isolable cyclic radical cations of heavy main-group elementsChemical Communications 2020, 56, 2167–2170

226 Su, Wei; Pan, Sudip; Sun, Xiong; Zhao, Lili; Frenking, Gernot; Zhu, Congqing, Cerium–carbon dative interactions supported by carbodiphosphoraneDalton Transactions 2019, 48, 16108–16114

225 Zhao, Lili; Pan, Sudip; Holzmann, Nicole; Schwerdtfeger, Peter; Frenking, Gernot, Chemical bonding and bonding models of main-group compoundsChemical Reviews 2019, 119, 8781–8845

224 Liu, Quan; Chen, Mingqiang; Mao, Yangyang; Liu, Gongping, Theoretical study on Janus graphene oxide membrane for water transportFrontiers of Chemical Science and Engineering 2020, 15, 913–921

223 Chen, Yuan; Qin, Jinchao; Tong, Tong; Zhou, Haoli; Cao, Xingzhong; Jin, Wanqin, Study on the effect of crosslinking temperature on microporous polyamide membrane structure and its nitrogen/cyclohexane separation performanceSeparation and Purification Technology 2020, 252, 117401

222 Liu, Quan; Liu, Yulu; Liu, Gongping, Simulation of cations separation through charged porous graphene membraneChemical Physics Letters 2020, 753, 137606

221 Zhang, Chi; Gao, Xue; Qin, Jinchao; Guo, Qingkai; Zhou, Haoli; Jin, Wanqin, Microporous polyimide VOC-rejective membrane for the separation of nitrogen/VOC mixtureJournal of Hazardous Materials 2021, 402, 123817

220 Liu, Quan; Cheng, Long; Liu, Gongping, Enhanced selective hydrogen permeation through graphdiyne membrane: A theoretical studyMembranes 2020, 10, 286

219 Lv, Anqi; Yu, Ze; Mao, Yufeng; Zheng, Xiaoyan; Shi, Wen; Shi, Huifang; Yao, Wei; Ma, Huili; An, Zhongfu, Molecular conformation dependence of phosphorescence lifetime in organic aggregatesDyes and Pigments 2021, 193, 109520

218 Zhao, Weijun; Liu, Zhiyang; Yu, Jie; Lu, Xuefeng; Lam, Jacky W. Y.; Sun, Jinyan; He, Zikai; Ma, Huili; Tang, Ben Zhong, Turning on solid-state luminescence by phototriggered subtle molecular conformation variationsAdvanced Materials 2020, 33, 2006844

217 Song, Lulu; Wang, Xiao; Zhang, Meng; Jia, Wenyong; Wang, Qian; Ye, Wenpeng; Wang, He; Lv, Anqi; Ma, Huili; Gu, Long; Shi, Huifang; An, Zhongfu; Huang, Wei, A single-component supramolecular organic framework with efficient ultralong phosphorescenceCCS Chem 2021, 3, 466–472

216 Yin, Zheng; Gu, Mingxing; Ma, Huili; Jiang, Xueyan; Zhi, Jiahuan; Wang, Yafei; Yang, Huifang; Zhu, Weiguo; An, Zhongfu, Molecular engineering through control of structural deformation for highly efficient ultralong organic phosphorescenceAngewandte Chemie International Edition 2020, 60, 2058–2063

215 Sun, Mingdong; Bian, Zhengyun; Cui, Weiwei; Zhao, Xiaolong; Dong, Shu; Ke, Xuebin; Zhou, Yu; Wang, Jun, Pyrolyzing soft template-containing poly(ionic liquid) into hierarchical N-doped porous carbon for electroreduction of carbon dioxideChinese Journal of Chemical Engineering 2021, 0, nan

214 Yu, Qing; Huang, Xuan; Zhang, Tian; Wang, Weili; Yang, Dongliang; Shao, Jinjun; Dong, Xiaochen, Near-infrared aza-BODIPY dyes through molecular surgery for enhanced photothermal and photodynamic antibacterial therapyChemical Research in Chinese Universities 2021, 37, 951–959

213 Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong, Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivativeMaterials Horizons 2021, 8, 2816-2822

212 Chen, Tao; Ye, Tingting; Zhu, Jie; Li, Guoqing; Chen, Zhe; Xie, Menglin; Zhou, Yu; Wang, Jun, Small-sized biomass-derived hydrothermal carbon with enriched oxygen groups quickens benzene hydroxylation to phenol with dioxygenApplied Catalysis A: General 2021, 626, 118356

211 Huang, Hengming; Xue, Chen; Fang, Zhenggang; Wang, Zhiliang; Luo, Bin; Sun, Menglong; Zhou, Ling; Hu, Kan; Kou, Jiahui; Wang, Lianzhou; Lu, Chunhua, Bridging localized electron states of pyrite-type CoS2 cocatalyst for activated solar H2 evolutionNano Research 2021, 15, 202–208

210 Yang, Qiang; Hu, Xiaohui; Shen, Xiaodong; Krasheninnikov, Arkady V.; Chen, Zhongfang; Sun, Litao, Enhancing ferromagnetism and tuning electronic properties of CrI3 monolayers by adsorption of transition-metal atomsACS Applied Materials & Interfaces 2021, 13, 21593–21601

209 Hu, Xiaohui; Zhao, Yinghe; Shen, Xiaodong; Krasheninnikov, Arkady V.; Chen, Zhongfang; Sun, Litao, Enhanced ferromagnetism and tunable magnetism in Fe3GeTe2 monolayer by strain engineeringACS Applied Materials & Interfaces 2020, 12, 26367–26373

208 Song, Kefan; Ai, Wen; Zhang, Yuan; Zeng, Yating; Yu, Yawei; Qiao, Handan; Liu, Zeyu; Shen, Xiaodong; Hu, Xiaohui; Hu, Xiulan, Three-dimensional self-supported CuCo2O4 nanowires@NiO nanosheets core/shell arrays as an oxygen electrode catalyst for Li–O2 batteriesJournal of Materials Chemistry A: Materials for Energy and Sustainability 2021, 9, 3007–3017

207 Liu, Lifei; Kou, Liangzhi; Wang, Yifeng; Lu, Chunhua; Hu, Xiaohui, Electronic and effective mass modulation in 2D BCN by strain engineeringNanotechnology 2020, 31, 455702

206 Liu, Lifei; Hu, Xiaohui; Wang, Yifeng; Krasheninnikov, Arkady V; Chen, Zhongfang; Sun, Litao, Tunable electronic properties and enhanced ferromagnetism in Cr2Ge2Te6 monolayer by strain engineeringNanotechnology 2021, 32, 485408

205 Yang, Qiang; Kou, Liangzhi; Hu, Xiaohui; Wang, Yifeng; Lu, Chunhua; Krasheninnikov, Arkady V; Sun, Litao, Strain robust spin gapless semiconductors/half-metals in transition metal embedded MoSe2 monolayerJournal of Physics: Condensed Matter 2020, 32, 365305

204 Wang, Jixiang; Kou, Liangzhi; Ni, Yaru; Hu, Xiaohui, Strain-tuned magnetism and half-metal to metal transition in defective BCN monolayerJournal of Physics: Condensed Matter 2021, 33, 235502

203 Gu, Yan; Ai, Wen; Zhao, Yaqing; Pan, Lin; Lu, Chunhua; Zong, Pengan; Hu, Xiaohui; Xu, Zhongzi; Wang, Yifeng, Remarkable thermoelectric property enhancement in Cu2SnS3–CuCo2S4 nanocomposites via 3D modulation dopingJournal of Materials Chemistry A: Materials for Energy and Sustainability 2021, 9, 16928–16935

202 Wan, Jingmeng; Nian, Mengjie; Yang, Chao; Ge, Kai; Liu, Junjie; Chen, Zhiquan; Duan, Jingui; Jin, Wanqin, Interface regulation of mixed matrix membranes by ultrathin MOF nanosheet for faster CO2 transferJournal of Membrane Science 2022, 642, 119991

201 Qi, Shi-Chao; Yang, Zhi-Hui; Zhu, Rong-Rong; Lu, Xiao-Jie; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing, The cascade catalysis of the porphyrinic zirconium metal–organic framework PCN-224-Cu for CO2 conversion to alcoholsJournal of Materials Chemistry A: Materials for Energy and Sustainability 2021, 9, 24510–24516

200 Qi, Shi-Chao; Liu, Xiao-Ying; Zhu, Rong-Rong; Xue, Ding-Ming; Liu, Xiao-Qin; Sun, Lin-Bing, Causation of catalytic activity of Cu-ZnO for CO2 hydrogenation to methanolChemical Engineering Journal 2022, 430, 132784

199 Yao, Huicong; Yue, Chaoyu; Wang, Yinfeng; Chen, Haijun; Zhu, Yuezhao, Numerical investigation of the heat and mass transfer performance of a two-phase closed thermosiphon based on a modified CFD modelCase Studies in Thermal Engineering 2021, 26, 101155

198 Zhuang, Haiyang; Yang, Jing; Chen, Su; Dong, Zhengfang; Chen, Guoxing, Statistical numerical method for determining seismic performance and fragility of shallow-buried underground structureTunnelling and Underground Space Technology 2021, 116, 104090

197 Jing, Yang; Haiyang, Zhuang; Wei, Wang; Zhenghua, Zhou; Guoxing, Chen, Seismic performance and effective isolation of a large multilayered underground subway stationSoil Dynamics and Earthquake Engineering 2021, 142, 106560

196 Liu, Hao; Wang, Xiaoyuan; Wang, Kai; Zhu, Yalu; Zhu, Yuezhao, Numerical analysis of ground temperature response characteristics of a space-heating ground source heat pump system by utilizing super-long flexible heat pipes for heat extractionEnergy and Buildings 2021, 244, 110991

195 Zhang, Yongwang; Wang, Lu; Chen, Li, Energy-based time equivalent approach for evaluating the fire resistance of timber components exposed to realistic design fire curvesStruct Design Tall Spec Build 2021, 30, nan

194 Zhang, Yongwang; Wang, Lu, Research on flashover prediction method of large-space timber structures in a fireMaterials 2021, 14, 5515

193 Wang, Zhichao; Peng, Qinqin; Huang, Xuan; Ma, Qianli; Shao, Jinjun; Shen, Qian, Recent progress of Acenaphthylene-imide-fused polycyclic aromatic hydrocarbons: Synthesis and applicationDyes and Pigments 2021, 185, 108877

192 Yu, Qing; Huang, Xuan; Zhang, Tian; Wang, Weili; Yang, Dongliang; Shao, Jinjun; Dong, Xiaochen, Near-infrared aza-BODIPY dyes through molecular surgery for enhanced photothermal and photodynamic antibacterial therapyChemical Research in Chinese Universities 2021, 37, 951–959

191 Cheng, Zijin; Zhang, Tian; Wang, Weili; Shen, Qing; Hong, Ying; Shao, Jinjun; Xie, Xiaoji; Fei, Zhenghao; Dong, Xiaochen, D-A-D structured selenadiazolesbenzothiadiazole-based near-infrared dye for enhanced photoacoustic imaging and photothermal cancer therapyChinese Chemical Letters 2021, 32, 1580–1585

190 Sun, Yu; Ling, Liang, An optimal tangential contact model for wheel-rail non-Hertzian contact analysis and its application in railway vehicle dynamics simulationVehicle System Dynamics 2021, 0, 1–29

189 Sun, Yu; Chen, Mei, Modelling of periodic slab track using time-frequency hybrid Greens function method and its application to vehicle-track dynamic interactionJournal of Sound and Vibration 2021, 511, 116327

188 Sun, Weiwei; Liu, Qiaoqiao; Lin, Guihong; Zhou, Jian; Huang, Liangliang; Liu, Chang, Crystallization of sodium bicarbonate in the presence of trace amounts of HPMAChemistrySelect 2021, 6, 2184–2188

187 Zhao, Weijun; Liu, Zhiyang; Yu, Jie; Lu, Xuefeng; Lam, Jacky W. Y.; Sun, Jinyan; He, Zikai; Ma, Huili; Tang, Ben Zhong, Turning on solid-state luminescence by phototriggered subtle molecular conformation variationsAdvanced Materials 2020, 33, 2006844

186 Ye, Wenpeng; Ma, Huili; Shi, Huifang; Wang, He; Lv, Anqi; Bian, Lifang; Zhang, Meng; Ma, Chaoqun; Ling, Kun; Gu, Mingxing; Mao, Yufeng; Yao, Xiaokang; Gao, Chaofeng; Shen, Kang; Jia, Wenyong; Zhi, Jiahuan; Cai, Suzhi; Song, Zhicheng; Li, Jingjie; Zhang, Yanyun; Lu, Song; Liu, Kun; Dong, Chaomin; Wang, Qian; Zhou, Yudong; Yao, Wei; Zhang, Yujian; Zhang, Hongmei; Zhang, Zaiyong; Hang, Xiaochun; An, Zhongfu; Liu, Xiaogang; Huang, Wei, Confining isolated chromophores for highly efficient blue phosphorescenceNature Materials 2021, 20, 1539–1544

185 Song, Lulu; Wang, Xiao; Zhang, Meng; Jia, Wenyong; Wang, Qian; Ye, Wenpeng; Wang, He; Lv, Anqi; Ma, Huili; Gu, Long; Shi, Huifang; An, Zhongfu; Huang, Wei, A single-component supramolecular organic framework with efficient ultralong phosphorescenceCCS Chemistry 2021, 3, 466–472

184 Huang, Kaiwei; Song, Lulu; Liu, Kun; Lv, Anqi; Singh, Manjeet; Shen, Kang; Shen, Jing; Wang, Jiamin; Wang, Hongchen; Shi, Huifang; Ma, Huili; Gu, Mingxing; Sun, Gengzhi; Yao, Wei; An, Zhongfu; Huang, Wei, Elastic organic crystals with ultralong phosphorescence for flexible anti-counterfeitingnpj Flex Electron 2021, 5, nan

183 Lv, Anqi; Yu, Ze; Mao, Yufeng; Zheng, Xiaoyan; Shi, Wen; Shi, Huifang; Yao, Wei; Ma, Huili; An, Zhongfu, Molecular conformation dependence of phosphorescence lifetime in organic aggregatesDyes and Pigments 2021, 193, 109520

182 Cai, Suzhi; Sun, Zhifang; Wang, He; Yao, Xiaokang; Ma, Huili; Jia, Wenyong; Wang, Shuxu; Li, Zhihao; Shi, Huifang; An, Zhongfu; Ishida, Yasuhiro; Aida, Takuzo; Huang, Wei, Ultralong organic phosphorescent foams with high mechanical strengthJournal of The American Chemical Society 2021, 143, 16256–16263

181 Yin, Zheng; Gu, Mingxing; Ma, Huili; Jiang, Xueyan; Zhi, Jiahuan; Wang, Yafei; Yang, Huifang; Zhu, Weiguo; An, Zhongfu, Molecular engineering through control of structural deformation for highly efficient ultralong organic phosphorescenceAngewandte Chemie International Edition 2020, 60, 2058–2063

180 Qin, Ke; Gong, Wenqi; Gao, Jia; Hu, Deping; Shi, Huifang; Yao, Wei; An, Zhongfu; Ma, Huili, Theoretical insight into the ultralong room-temperature phosphorescence of nonplanar aromatic hydrocarbonFrontiers in Chemistry 2021, 9, nan

179 Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei, Tunable microstructures of ultralong organic phosphorescence materialsChemical Communications 2021, 57, 7276–7279

178 Ding, Riqing; Qin, Ke; Sun, Huili; Zhou, Shasha; Guo, Sidan; Feng, Hui; Ma, Huili; Qian, Zhaosheng, Endowing nitro-compounds with bright and stimuli-responsive luminescence based on propeller-like AIEgensJournal of Materials Chemistry C: Materials for Optical and Electronic Devices 2021, 9, 12177–12183

177 Lu, Yushuang; Huang, Lijuan; Guo, Yanan; Yang, Xiaoning, Theoretical insights into origin of graphene oxide acidity and relating behavior of oxygen-containing groups in waterCarbon 2021, 183, 355–361

176 Dong, Qiubing; Zhang, Xin; Liu, Shuang; Lin, Rui-Biao; Guo, Yanan; Ma, Yunsheng; Yonezu, Akira; Krishna, Rajamani; Liu, Gongpin; Duan, Jingui; Matsuda, Ryotaro; Jin, Wanqin; Chen, Banglin, Tuning gate-opening of a flexible Metal–Organic framework for ternary gas sieving separationAngewandte Chemie 2020, 132, 22944–22950

175 Wang, Zhenggang; Yuan, Jianwei; Li, Renhao; Zhu, Haipeng; Duan, Jingui; Guo, Yanan; Liu, Gongping; Jin, Wanqin, ZIF-301 MOF/6FDA-DAM polyimide mixed-matrix membranes for CO2/CH4 separationSeparation and Purification Technology 2021, 264, 118431

174 Chen, Gao; Guo, Yanan; Miao, Shuanshuan; Sun, Hainan; Gu, Binbin; Li, Wenhuai; Zhong, Yijun; Zhou, Wei; Shao, Zongping, Constructing self-standing and non-precious metal heterogeneous nanowire arrays as high-performance oxygen evolution electrocatalysts: Beyond the electronegativity effect of the substrateJournal of Power Sources 2018, 396, 421–428

173 Chen, Luohao; Guo, Yanan; Xu, Zhijun; Yang, Xiaoning, Multiscale simulation of the interaction and adsorption of ions on a hydrophobic graphene surfaceChemphyschem : a European journal of chemical physics and physical chemistry 2018, 19, 2954–2960

172 Wu, Xinhao; Guo, Yanan; Sun, Zengsen; Xie, Fenghua; Guan, Daqin; Dai, Jie; Yu, Fengjiao; Hu, Zhiwei; Huang, Yu-Cheng; Pao, Chih-Wen; Chen, Jeng-Lung; Zhou, Wei; Shao, Zongping, Fast operando spectroscopy tracking in situ generation of rich defects in silver nanocrystals for highly selective electrochemical CO2 reductionNature communications 2021, 12, nan

171 Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui, Accelerated C2H2/CO2 separation by a se-functionalized porous coordination polymer with low binding energyACS Applied Materials & Interfaces 2020, 12, 3764–3772

170 Jiang, Qiuwei; Guo, Yanan; Xu, Zhijun; Yang, Xiaoning, DFT insights into the interfacial chemical behavior of hybrid LDH/GO nanocompositesJournal of Physical Chemistry C 2018, 123, 1692–1699

169 Yu, Jie; Guo, Yanan; Miao, Shuanshuan; Ni, Meng; Zhou, Wei; Shao, Zongping, Spherical ruthenium disulfide-sulfur-doped graphene composite as an efficient hydrogen evolution electrocatalystACS Applied Materials & Interfaces 2018, 10, 34098–34107

168 Liu, Tian; Liu, Zhangyong; Tang, Lipeng; Li, Jun; Yang, Zhuhong, Trans influence of boryl ligands in CO2 hydrogenation on ruthenium complexes: Theoretical prediction of highly active catalysts for CO2 reductionCatalysts (Basel, Switzerland) 2021, 11, 1356

167 Zhou, Yanjie; Chen, Liping; Gong, Yanfeng; Wang, Shilin, Pore-scale simulations of particles migration and deposition in porous media using LBM-DEM coupling methodProcesses 2021, 9, 465

166 Cheng, Cheng; Wang, Jian; Zhao, Zhihao; Chen, Changchun; Cui, Sheng; Wang, Yifeng; Pan, Lin; Ni, Yaru; Lu, Chunhua, S-scheme SrTiO3/porous ZnO derived by pyrolysis of ZIF-8 composite with efficient photocatalytic activity for pollutant degradationJournal of Alloys and Compounds 2022, 896, 163064

165.Gao, Xuechao; Da, Chao; Chen, Cheng; Li, Zongheng; Gu, Xuehong; Bhatia, Suresh K., The induced orientation effect of linear gases during transport in a NaA zeolite membrane modified by alkali lignin. Journal of Membrane Science 2021, 620, 118971.

164 Dong, Qiubing; Zhang, Xin; Liu, Shuang; Lin, Rui-Biao; Guo, Yanan; Ma, Yunsheng; Yonezu, Akira; Krishna, Rajamani; Liu, Gongpin; Duan, Jingui; Matsuda, Ryotaro; Jin, Wanqin; Chen, Banglin, Tuning Gate-Opening of a Flexible Metal-Organic Framework for Ternary Gas Sieving Separation. Angew. Chem.-Int. Edit. 2020.

163 Xu, Hengyue; Liu, Pengfei; Zhang, Wenjie; Wang, Qiang; Yang, Yanhui, Structure, stability, electronic and magnetic properties of monometallic Pd, Pt, and bimetallic Pd-Pt core-shell nanoparticles. Chemical Physics 2020, 539.

162 Wang, Qiang; Liu, Pengfei; Bian, Xin; Huang, Jianmei; Li, Wei-qi; Chen, Guang-hui; Yang, Yanhui, Adlayer-substrate interactions in controlled growth of graphene/h-BN heterostructure on Ni(111) and Cu(111) surfaces. Applied Surface Science 2019, 480, 154-161.

161 Mao, Xianxian; Li, Wei; Zhu, Shiyu; Zou, Juan; Tian, Hongyan; Duan, Yuting; Wang, Yuntao; Fei, Jiayue; Wang, Xiaojian, Bifunctional pyridoxal derivatives as efficient bioorthogonal reagents for biomacromolecule modifications. Chem. Commun. 2020, 56 (55), 7601-7604.

160 Haiyang, Zhuang; Jing, Yang; Su, Chen; Hongxu, Li; Kai, Zhao; Guoxing, Chen, Liquefaction performance and deformation of slightly sloping site in floodplains of the lower reaches of Yangtze River. Ocean Engineering 2020, 217, 107869.

159 Nadimi, Sadegh; Ghanbarzadeh, Ali; Neville, Anne; Ghadiri, Mojtaba, Effect of particle roughness on the bulk deformation using coupled boundary element and discrete element methods. Computational Particle Mechanics 2020, 7 (3), 603-613.

158 Zhao, Jingjing; tao, Hanzhong; Cheng, Jianjie; Li, Wei; Fu, Lijun, A numerical analysis of the characteristics of interfacial waves on the onset of flooding in an inclined pipe. International Journal of Multiphase Flow 2020, 132, 103400.

157 Su, Zhibin; Zhang, Yingying; Huang, Liangliang; Wang, Shanshan; Zhu, Yudan; Li, Licheng; Lu, Xiaohua, Acetone adsorption on activated carbons: Roles of functional groups and humidity. Fluid Phase Equilib. 2020, 521, 112645.

156 Hu, Xiaohui; Zhao, Yinghe; Shen, Xiaodong; Krasheninnikov, Arkady V.; Chen, Zhongfang; Sun, Litao, Enhanced Ferromagnetism and Tunable Magnetism in Fe3GeTe2 Monolayer by Strain Engineering. ACS Appl. Mater. Interfaces 2020, 12 (23), 26367-26373.

155 Ai, Wen; Hu, Xiao-Hui; Pan, Lin; Chen, Chang-Chun; Wang, Yi-Feng; Shen, Xiao-Dong, Sensing performance of two-dimensional WTe2-based gas sensors. Acta Physica Sinica 2019, 68 (19).

154 Liu, Lifei; Kou, Liangzhi; Wang, Yifeng; Lu, Chunhua; Hu, Xiaohui, Electronic and effective mass modulation in 2D BCN by strain engineering. Nanotechnology 2020, 31 (45).

153 Luo, Q.; Li, L.; Ma, H. L.; Lv, C. Y.; Jiang, X. Y.; Gu, X. G.; An, Z. F.; Zou, B.; Zhang, C.; Zhang, Y. J., Deep-red fluorescence from isolated dimers: a highly bright excimer and imagingin vivo. Chemical Science 2020, 11 (23), 6020-6025.

152 Yang, Q.; Kou, L. Z.; Hu, X. H.; Wang, Y. F.; Lu, C. H.; Krasheninnikov, A. V.; Sun, L. T., Strain robust spin gapless semiconductors/half-metals in transition metal embedded MoSe(2)monolayer. J. Phys.-Condes. Matter 2020, 32 (36), 8.

151 Wang, Shengnian; Li, Yue; Gao, Xinqun; Xue, Qinpei; Zhang, Peng; Wu, Zhijian, Influence of volumetric block proportion on mechanical properties of virtual soil-rock mixtures. Engineering Geology 2020, 278, 105850.

150 Huang, Liping; Shang, Zhengcong; Gao, Mingyuan; Miao, Chunyang; Cheng, Yingchun; Huang, Wei, Optimized Parameters for Identifying the Layer Number of Few Layer Chromium Tri-iodide from a Theoretical Perspective: Implications for Two-Dimensional Spintronics. Acs Applied Nano Materials 2020, 3 (8), 8382-8388.

149艾雯, -;胡小会, -;潘林, -;陈长春, -;王一峰, -;沈晓冬, -, -二维材料WTe₂用于气体传感器的性能研究%J -物理学报. 2019, - 68 (- 19), - 197101-1.

148 Yao, Wei; Ma, Chaoqun; Ma, Huili; Fu, Lishun; Lu, Song; Lv, Anqi; Cai, Suzhi; Hang, Xiaochun; Singh, Manjeet; Shi, Huifang; An, Zhongfu; Huang, Wei, Supramolecular organic frameworks with ultralong phosphorescence via breaking π-Conjugated structures. Giant 2020, 1, 100007.

147 Hao, Lina; Wang, Jinpeng; Zhai, Diandian; Ma, Peng; Ma, Congming; Pan, Yong; Jiang, Juncheng, Theoretical Study on CL-20-Based Cocrystal Energetic Compounds in an External Electric Field. ACS Omega 2020, 5 (24), 14767-14775.

146 Luo, Qing; Li, Lin; Ma, Huili; Lv, Chunyan; Jiang, Xueyan; Gu, Xinggui; An, Zhongfu; Zou, Bo; Zhang, Cheng; Zhang, Yujian, Deep-red fluorescence from isolated dimers: a highly bright excimer and imaging in vivo. Chemical Science 2020, 11 (23), 6020-6025.

145 Huang, Ting; Liu, Zaichun; Zhang, Yu; Wang, Faxing; Wen, Juan; Wang, Chengyin; Hossain, Masud; Xie, Qingji; Yao, Shouzhuo; Wu, Yuping, Promoting electrocatalytic nitrogen reduction to ammonia via Fe-boosted nitrogen activation on MnO2 surfaces. Journal of Materials Chemistry A 2020, 8 (27), 13679-13684.

144 Yang, Qiang; Kou, Liangzhi; Hu, Xiaohui; Wang, Yifeng; Lu, Chunhua; Krasheninnikov, Arkady V.; Sun, Litao, Strain robust spin gapless semiconductors/half-metals in transition metal embedded MoSe2 monolayer. Journal of Physics: Condensed Matter 2020, 32 (36), 365305.

143 Zhang, Wenli; Ma, Fangpei; Ma, Long; Zhou, Yu; Wang, Jun, Imidazolium-Functionalized Ionic Hypercrosslinked Porous Polymers for Efficient Synthesis of Cyclic Carbonates from Simulated Flue Gas. 2020, 13 (2), 341-350.

142 Zhou, Musen; Li, Sanmei; Lu, Linghong; Cao, Wei; Wang, Shanshan; Xie, Wenlong, The effect of surface wrinkles on the properties of water in graphene slit pores. Molecular Simulation 2020, 46 (8), 604-615.

141 Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui, Accelerated C2H2/CO2 Separation by a Se-Functionalized Porous Coordination Polymer with Low Binding Energy. ACS Appl. Mater. Interfaces 2020, 12 (3), 3764-3772.

140 Li, Shunchao; Jiang, Huichun; Hua, Min; Pan, Xuhai; Li, Hangchen; Guo, Xinxin; Zhang, Han, Theoretical and experimental studies on the thermal decomposition of 1-butyl-3-methylimidazolium dibutyl phosphate. Journal of Loss Prevention in the Process Industries 2020, 65, 104162.

139 Jiang, Yiming; Hua, Min; Yan, Peng; Zhang, Han; Li, Quanwei; Pan, Xuhai, The transport and diffusion characteristics of superheated fire extinguish agent released via different nozzles in a confined space. Safety Science 2020, 129, 104787.

138 Xu, Xiaodan; Jiang, J.; Jiang, Yiming; Wang, Zhilei; Wang, Qingyuan; Yan, Weiyang; Pan, Xuhai, Spontaneous ignition of high-pressure hydrogen and boundary layer characteristics in tubes. International Journal of Hydrogen Energy 2020.

137 Wang, Faxing; Tseng, Jochi; Liu, Zaichun; Zhang, Panpan; Wang, Gang; Chen, Guangbo; Wu, Weixing; Yu, Minghao; Wu, Yuping; Feng, Xinliang, A Stimulus-Responsive Zinc–Iodine Battery with Smart Overcharge Self-Protection Function. 2020, 32 (16), 2000287.

136 Zhang, H.; Pan, X.; Hua, M.; Jiang, Y.; Guo, X.; Li, H. In Experimental study on release characteristics of the gas-liquid extinguishing agent in a confined space, 2019 9th International Conference on Fire Science and Fire Protection Engineering (ICFSFPE), 18-20 Oct. 2019; 2019; pp 1-5.

135 Chang, Zheng; Yu, Feng; Liu, Zaichun; Peng, Shou; Guan, Min; Shen, Xiaoxiao; Zhao, Shulin; Liu, Nian; Wu, Yuping; Chen, Yuhui, Co–Ni Alloy Encapsulated by N-doped Graphene as a Cathode Catalyst for Rechargeable Hybrid Li–Air Batteries. ACS Appl. Mater. Interfaces 2020, 12 (4), 4366-4372.

134 Tang, Yunyun; Xue, Lei; Yu, Qing; Chen, Dapeng; Cheng, Zijin; Wang, Wenjun; Shao, Jinjun; Dong, Xiaochen, Smart Aza-BODIPY Photosensitizer for Tumor Microenvironment-Enhanced Cancer Phototherapy. ACS Applied Bio Materials 2019, 2 (12), 5888-5897.

133 Li, Hangchen; Hua, Min; Pan, Xuhai; Li, Shunchao; Guo, Xinxin; Zhang, Han; Jiang, Juncheng, The reaction pathway analysis of phosphoric acid with the active radicals: a new insight of the fire-extinguishing mechanism of ABC dry powder. Journal of Molecular Modeling 2019, 25 (8), 255.

132 Zhu, Wei; Zhang, Cheng; Zhu, Yu-dan; An, Rong; Lu, Xiao-hua; Shi, Yi-jun; Jiang, Sheng-yu, Molecular insights on the microstructures of nanoconfined glycerol and its aqueous solutions: The effects of interfacial properties, temperature, and glycerol concentration. J. Mol. Liq. 2019, 291, 111238.

131 Qin, Yao; Zhao, Nana; Zhu, Yudan; Zhang, Yumeng; Gao, Qingwei; Dai, Zhongyang; You, Yajing; Lu, Xiaohua, Molecular insights into the microstructure of ethanol/water binary mixtures confined within typical 2D nanoslits: The role of the adsorbed layers induced by different solid surfaces. Fluid Phase Equilib. 2020, 509, 112452.

130 Zhao, Nana; Deng, Jiawei; Zhu, Yudan; Chen, Yaojia; Qin, Yao; Ruan, Yang; Zhang, Yumeng; Gao, Qingwei; Lu, Xiaohua, Atomistic insights into the effects of carbonyl oxygens in functionalized graphene nanopores on Ca2+/Na+ sieving. Carbon 2020, 164, 305-316.

129 Zhu, Jiabao; Lu, Linghong; Shi, Lili; Dai, Zhongyang; Zhuang, Wei; Weng, Zhengsong, Electric double-layer of [emim][DCA] ionic liquid at heterogeneous interface of TiO2/C composite: From simulation to experiment. Electrochimica Acta 2020, 341, 135981.

128 Tong, Yujia; Huang, Lukuan; Li, Weixing, CFD simulation of flow field and resistance in a 19-core tandem ceramic membrane module. Chinese Journal of Chemical Engineering 2019.

127 Gao, C. F.; Li, R. P.; Zhong, M. Z.; Wang, R.; Wang, M.; Lin, C. Q.; Huang, L. P.; Cheng, Y. C.; Huang, W., Stability and Phase Transition of Metastable Black Arsenic under High Pressure. J. Phys. Chem. Lett. 2020, 11 (1), 93-98.

126 Li, R. P.; Han, N. N.; Cheng, Y. C.; Huang, W., Pressure-induced metallization of black arsenic. J. Phys.-Condes. Matter 2019, 31 (50), 6.

125 Zhang, Xuyang; Han, Nannan; Lin, Changqing; Wei, Qilin; Zhao, Puqin; Cheng, Yingchun; Huang, Wei, The influence of Ca doping in Bi2O2Se: A first-principles investigation. Computational Materials Science 2020, 179, 109684.

124 Zhu, Ya; Wei, Xiaogang; Song, Yan; Wei, Qilin; Lin, Changqing; Han, Nannan; Mi, Wenbo; Cheng, Yingchun; Huang, Wei, Half-metal to magnetic semiconductor transition in Mn-doped monolayer Bi2O2Se tuned by strain. Journal of Magnetism and Magnetic Materials 2019, 480, 73-78.

123 Wei, Qilin; Li, Ruiping; Lin, Changqing; Han, Ali; Nie, Anmin; Li, Yiran; Li, Lain-Jong; Cheng, Yingchun; Huang, Wei, Quasi-Two-Dimensional Se-Terminated Bismuth Oxychalcogenide (Bi2O2Se). ACS Nano 2019, 13 (11), 13439-13444.

122 Lin, Changqing; Li, Yiran; Wei, Qilin; Shen, Qian; Cheng, Yingchun; Huang, Wei, Enhanced Valley Splitting of Transition-Metal Dichalcogenide by Vacancies in Robust Ferromagnetic Insulating Chromium Trihalides. ACS Appl. Mater. Interfaces 2019, 11 (20), 18858-18864.

121 Wu, Weiwei; Lin, Changqing; Li, Shaowen; Tang, Xiaoyu; Sun, Changchun; Zhao, Wenyu; Liu, Siyuan; Bai, Miao; Cheng, Yingchun; Ma, Yue, Synthesis of 2D Li4Ti5O12 Nanosheets via the “Insertion–Exfoliation–Lithiation” Process. ACS Applied Energy Materials 2019, 2 (10), 7321-7329.

120 Gao, Chaofeng; Li, Ruiping; Li, Yiran; Wang, Rong; Wang, Meng; Gan, Zhixing; Bai, Ligang; Liu, Yucheng; Zhao, Kui; Liu, Shengzhong Frank; Cheng, Yingchun; Huang, Wei, Direct–Indirect Transition of Pressurized Two-Dimensional Halide Perovskite: Role of Benzene Ring Stack Ordering. The Journal of Physical Chemistry Letters 2019, 10 (19), 5687-5693.

119 Yang, Yanqing; Fan, Xiaoxiao; Li, Ling; Yang, Yuming; Nuernisha, Alifu; Xue, Dingwei; He, Chao; Qian, Jun; Hu, Qinglian; Chen, Hao; Liu, Jie; Huang, Wei, Semiconducting Polymer Nanoparticles as Theranostic System for Near-Infrared-II Fluorescence Imaging and Photothermal Therapy under Safe Laser Fluence. ACS Nano 2020, 14 (2), 2509-2521.

118 Ling, Kun; Shi, Huifang; Wang, He; Fu, Lishun; Lv, Anqi; Huang, Kaiwei; Ye, Wenpeng; Gu, Mingxing; Ma, Chaoqun; Yao, Xiaokang; Jia, Wenyong; Zhi, Jiahuan; Yao, Wei; An, Zhongfu; Ma, Huili; Huang, Wei, Controllable Multiemission with Ultralong Organic Phosphorescence in Crystal by Isomerization. 2019, 7 (24), 1901076.

117 Liu, Lei; Wei, Qi; Cheng, Yajuan; Ma, Huili; Xiong, Shiyun; Zhang, Xiaohong, Theoretical studies on full-color thermally activated delayed fluorescence molecules. Journal of Materials Chemistry C 2020, 8 (17), 5839-5846.

116 Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang, Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy. ACS Appl. Mater. Interfaces 2020, 12 (16), 18385-18394.

115 Shi, Huifang; Song, Lulu; Ma, Huili; Sun, Chen; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Wang, He; Cai, Suzhi; Yao, Wei; Zhang, Yujian; Zheng, Ruilin; An, Zhongfu; Huang, Wei, Highly Efficient Ultralong Organic Phosphorescence through Intramolecular-Space Heavy-Atom Effect. The Journal of Physical Chemistry Letters 2019, 10 (3), 595-600.

114 Li, M. P.; Ling, K.; Shi, H. F.; Gan, N.; Song, L. L.; Cai, S. Z.; Cheng, Z. C.; Gu, L.; Wang, X.; Ma, C. Q.; Gu, M. X.; Wu, Q.; Bian, L. F.; Liu, M. L.; An, Z. F.; Ma, H. L.; Huang, W., Prolonging Ultralong Organic Phosphorescence Lifetime to 2.5 s through Confining Rotation in Molecular Rotor. Adv. Opt. Mater. 2019, 7 (10), 6.

113 Wang, F.; Sun, J.; Liu, M. L.; Shi, H. F.; Ma, H. L.; Ye, W. P.; Wang, H.; Zhang, H. M.; An, Z. F.; Huang, W., D-A-D-type bipolar host materials with room temperature phosphorescence for high-efficiency green phosphorescent organic light-emitting diodes. Journal of Materials Chemistry C 2020, 8 (5), 1871-1878.

112 Gu, Mingxing; Shi, Huifang; Ling, Kun; Lv, Anqi; Huang, Kaiwei; Singh, Manjeet; Wang, He; Gu, Long; Yao, Wei; An, Zhongfu; Ma, Huili; Huang, Wei, Polymorphism-Dependent Dynamic Ultralong Organic Phosphorescence %J Research. 2020, 2020, 9.

111 Jin, Zhaoyong; Liu, Chuangwei; Liu, Zaichun; Han, Jingrui; Fang, Yanfeng; Han, Yaqian; Niu, Yusheng; Wu, Yuping; Sun, Chenghua; Xu, Yuanhong, Rational Design of Hydroxyl-Rich Ti3C2Tx MXene Quantum Dots for High-Performance Electrochemical N2 Reduction. n/a (n/a), 2000797.

110 Ma, Peng; Liu, Xuqin; Hao, Lina; Zhai, Diandian; Wang, Jinpeng; Ma, Congming; Pan, Yong; Jiang, Juncheng; Zhang, Lin, Pressure induced structural behavior of energetic cocrystal TNT/TNB: a density functional theory study. Journal of Molecular Modeling 2020, 26 (6), 121.

109 Song, Yang; Wei, Mingjie; Xu, Fang; Wang, Yong, Molecular Simulations of Water Transport Resistance in Polyamide RO Membranes: Interfacial and Interior Contributions. Engineering 2020.

108 Zhang, Xin; Wei, Mingjie; Xu, Fang; Wang, Yong, Thickness-dependent ion rejection in nanopores. Journal of Membrane Science 2020, 601, 117899.

107 Pan, Jiawei; Wang, Ling; Chen, Wei; Sang, Shenglong; Sun, Hua; Wu, Bo; Hang, Xiao-Chun; Sun, Zhengyi; Huang, Wei, Non-fullerene small molecule acceptors with three-dimensional thiophene/selenophene-annulated perylene diimides for efficient organic solar cells. Journal of Materials Chemistry C 2020.

106 Sun, H.; Tan, X.; Sang, S. L.; Liu, Q.; Sun, P.; Zhang, J.; Hang, X. C.; Chen, F.; Chen, Z. K., A novel design strategy for deeper blue and more stable thermally activated delayed fluorescent emitters. Org. Electron. 2020, 78, 7.

105 Chen, Wenjin; Tenzer, Robert, Reformulation of Parker-Oldenburg's method for Earth's spherical approximation. Geophysical Journal International 2020.

104 Wang, Xiaoyuan; Liu, Hao; Wang, Yinfeng; Zhu, Yuezhao, CFD simulation of dynamic heat transfer behaviors in super-long thermosyphons for shallow geothermal application. Applied Thermal Engineering 2020, 174, 115295.

103 Wang, Xiaoyuan; Zhu, Yuezhao; Wang, Yinfeng, Development of pressure-based phase change model for CFD modelling of heat pipes. International Journal of Heat and Mass Transfer 2019, 145, 118763.

102 Jiang, D. D.; Fu, M. X.; Zhang, Y. J.; Li, Q. Q.; Guo, K.; Yang, Y. H.; Zhao, L. L., Mechanistic Study of Unprecedented Highly Regioselective Hydrocyanation of Terminal Alkynes: Insight into the Origins of the Regioselectivity and Ligand Effects. J. Comput. Chem. 2020, 41 (4), 279-289.

101 Flosdorf, K.; Jiang, D. D.; Zhao, L. L.; Neumuller, B.; Frenking, G.; Kuzu, I., An Experimental and Theoretical Study of the Structures and Properties of CDPMe-Ni(CO)(3) and Ni-2(CO)(4)(mu(2)-CO)(mu(2)-CDPMe). Eur. J. Inorg. Chem. 2019, 2019 (42), 4546-4554.

100 Kneusels, Nis-Julian H.; Muenzer, Joern E.; Flosdorf, Kimon; Jiang, Dandan; Neumueller, Bernhard; Zhao, Lili; Eichhoefer, Andreas; Frenking, Gernot; Kuzu, Istemi, Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties. Dalton Transactions 2020, 49 (8), 2537-2546.

99 Xu, T. F.; Zhang, M.; Xu, Z. J.; Yang, X. N., Molecular Insight into Water Transport through Heterogeneous GO-based Two-Dimensional Nanocapillary. ACS Appl. Mater. Interfaces 2019, 11 (36), 33409-33418.

98 Zhou, Z. B.; Xu, Z. J.; Yang, X. N., Molecular dynamics simulation of interface-mediated GO-GO interaction at the air-water interface. J. Mol. Liq. 2019, 291, 9.

97 Chen, L. H.; Liu, S. Y.; Xu, Z. J.; Yang, X. N., Electrically Tunable Electron Transfer and Binding Interaction between Hydrated Ions and Graphene Oxide. J. Phys. Chem. Lett. 2019, 10 (19), 5735-5741.

96 Miao, S. S.; Xu, Z. J.; Yang, X. N., DFT study of non-covalent interaction mechanisms of solvents with GO surfaces and the solvent-mediated GO interaction. Applied Surface Science 2020, 499, 10.

95 Zhan, W.; Xu, Z. J.; Yang, X. N., Molecular interlayer intercalation of ethanol-water mixture towards GO laminated membranes. Separation and Purification Technology 2020, 233, 9.

94 Wang, Faxing; Liu, Zaichun; Yang, Chongqing; Zhong, Haixia; Nam, Gyutae; Zhang, Panpan; Dong, Renhao; Wu, Yuping; Cho, Jaephil; Zhang, Jian; Feng, Xinliang, Fully Conjugated Phthalocyanine Copper Metal-Organic Frameworks for Sodium-Iodine Batteries with Long-Time-Cycling Durability. Advanced materials (Deerfield Beach, Fla.) 2019, e1905361.

93 Qi, Shi-Chao; Yu, Guo-Xing; Xue, Ding-Ming; Liu, Xin; Liu, Xiao-Qin; Sun, Lin-Bing, Rigid supramolecular structures based on flexible covalent bonds: A fabrication mechanism of porous organic polymers and their CO2 capture properties. Chemical Engineering Journal 2020, 385, 123978.

92 Zhai, Diandian; Wang, Jinpeng; Hao, Lina; Ma, Congming; Ma, Peng; Pan, Yong; Jiang, Juncheng, Molecular design and properties of bridged energetic pyridines derivatives. RSC Adv. 2019, 9 (65), 37747-37758.

91 Chen, Xin; Wei, Shuaifei; Wang, Qianqian; Tang, Mingliang; Shen, Xiaodong; Zou, Xin; Shen, Yusheng; Ma, Bing, Morphology prediction of portlandite: Atomistic simulations and experimental research. Applied Surface Science 2020, 502, 144296.

90 Wei, Mingjie; Zhou, Wei; Xu, Fang; Wang, Yong, Nanofluidic Behaviors of Water and Ions in Covalent Triazine Framework (CTF) Multilayers. n/a (n/a), 1903879.

89 Song, Yang; Xu, Fang; Wei, Mingjie; Wang, Yong, Water Flow inside Polamide Reverse Osmosis Membranes: A Non-Equilibrium Molecular Dynamics Study. The Journal of Physical Chemistry B 2017, 121 (7), 1715-1722.

88 Xu, Fang; Wei, Mingjie; Zhang, Xin; Song, Yang; Zhou, Wei; Wang, Yong, How Pore Hydrophilicity Influences Water Permeability? %J Research. 2019, 2019, 10.

87 Song, Yang; Wei, Mingjie; Xu, Fang; Wang, Yong, Transport Mechanism of Water Molecules Passing through Polyamide/COF Mixed Matrix Membranes. Physical Chemistry Chemical Physics 2019.

86 Xu, Fang; Wei, Mingjie; Zhang, Xin; Wang, Yong, Ion Rejection in Covalent Organic Frameworks: Revealing the Overlooked Effect of In-Pore Transport. ACS Appl. Mater. Interfaces 2019.

85 Wang, Xuan; Gan, Nan; Gu, Mingxing; Ling, Kun; Ma, Chaoqun; Ma, Huili; Yao, Wei; Zhang, Yujian; Shi, Huifang; An, Zhongfu; Huang, Wei, Subtle structure tailoring of metal-free triazine luminogens for highly efficient ultralong organic phosphorescence. Chinese Chemical Letters 2019, 30 (11), 1935-1938.

84 Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei, High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions. Materials Chemistry Frontiers 2019, 3 (11), 2448-2454.

83 Ma, Huili; Yu, Hongde; Peng, Qian; An, Zhongfu; Wang, Dong; Shuai, Zhigang, Hydrogen Bonding-Induced Morphology Dependence of Long-Lived Organic Room-Temperature Phosphorescence: A Computational Study. The Journal of Physical Chemistry Letters 2019, 6948-6954.

82 Gan, N.; Wang, X.; Ma, H. L.; Lv, A. Q.; Wang, H.; Wang, Q.; Gu, M. X.; Cai, S. Z.; Zhang, Y. Y.; Fu, L. S.; Zhang, M.; Dong, C. M.; Yao, W.; Shi, H. F.; An, Z. F.; Huang, W., Manipulating the Stacking of Triplet Chromophores in the Crystal Form for Ultralong Organic Phosphorescence. Angew. Chem.-Int. Edit., 7.

81 Cai, S. Z.; Ma, H. L.; Shi, H. F.; Wang, H.; Wang, X.; Xiao, L. X.; Ye, W. P.; Huang, K. W.; Cao, X. D.; Gan, N.; Ma, C. Q.; Gu, M. X.; Song, L. L.; Xu, H.; Tao, Y. T.; Zhang, C. F.; Yao, W.; An, Z. F.; Huang, W., Enabling long-lived organic room temperature phosphorescence in polymers by subunit interlocking. Nat. Commun. 2019, 10, 8.

80 Li, Z. N.; Wang, J. G.; Huang, H. Y.; Liu, Y.; Yun, Y. K.; Cheng, Z. C.; Liu, S. L.; Ding, Z. C.; Zhao, B. M.; Huang, W., A fully fused non-fullerene acceptor containing angular-shaped S,N-heteroacene and perylene diimide for additive-free organic solar cells. New J. Chem. 2019, 43 (35), 13775-13782.

79 Xu, F.; Song, Y.; Wei, M. J.; Wang, Y., Water Flow through Interlayer Channels of Two-Dimensional Materials with Various Hydrophilicities. J. Phys. Chem. C 2018, 122 (27), 15772-15779.

78 Zhou, W.; Wei, M. J.; Zhang, X.; Xu, F.; Wang, Y., Fast Desalination by Multilayered Covalent Organic Framework (COF) Nanosheets. ACS Appl. Mater. Interfaces 2019, 11 (18), 16847-16854.

77 Wu, Yipei; Tan, Xiao; Lv, Anqi; Yu, Feiling; Ma, Huili; Shen, Kang; Sun, Zhengyi; Chen, Fei; Chen, Zhi-Kuan; Hang, Xiao-Chun, Triplet Excited-State Engineering of Phosphorescent Pt(II) Complexes. The journal of physical chemistry letters 2019, 5105-5110.

76 Sha, F.; Zheng, Y. C.; Chen, J.; Chen, K. Q.; Cao, F.; Yan, M.; Ouyang, P. K., D-Tagatose manufacture through bio-oxidation of galactitol derived from waste xylose mother liquor. Green Chem. 2018, 20 (10), 2382-2391.

75 Dai, Z. Y.; You, Y. J.; Zhu, Y. D.; Wang, S. S.; Zhu, W.; Lu, X. H., Atomistic Insights into the Layered Microstructure and Time Dependent Stability of BMIM PF6 Confined within the Meso-Slit of Carbon. J. Phys. Chem. B 2019, 123 (31), 6857-6869.

74 Zhang, Y. M.; Zhu, W.; Li, J. H.; Zhu, Y. D.; Wang, A. R.; Lu, X. H.; Li, W.; Shi, Y. J., Effects of ionic hydration and hydrogen bonding on flow resistance of ionic aqueous solutions confined in molybdenum disulfide nanoslits: Insights from molecular dynamics simulations. Fluid Phase Equilib. 2019, 489, 23-29.

73 Zhang, Y. M.; Zhu, Y. D.; Wang, A. R.; Gao, Q. W.; Qin, Y.; Chen, Y. J.; Lu, X. H., Progress in molecular-simulation-based research on the effects of interface-induced fluid microstructures on flow resistance. Chinese Journal of Chemical Engineering 2019, 27 (6), 1403-1415.

72 Chen, Y. J.; Zhu, Y. D.; Ruan, Y.; Zhao, N. N.; Liu, W.; Zhuang, W.; Lu, X. H., Molecular insights into multilayer 18-crown-6-like graphene nanopores for K+/Na+ separation: A molecular dynamics study. Carbon 2019, 144, 32-42.

71 Yuan, R. F.; Zhu, Y. D.; Zhou, B. H.; Hu, J. Y., Photocatalytic oxidation of sulfamethoxazole in the presence of TiO2: Effect of matrix in aqueous solution on decomposition mechanisms. Chemical Engineering Journal 2019, 359, 1527-1536.

70 Ma, Peng; Wang, Jinpeng; Zhai, Diandian; Hao, Lina; Ma, Congming; Pan, Yong; Jiang, Juncheng; Zhu, Shunguan, Structural transformation and absorption properties of 2,4,6-Trinitro-2,4,6-triazacyclohexanone under high pressures. Journal of Molecular Structure 2019, 1196, 691-698.

69 Ai, W.; Kou, L. Z.; Hu, X. H.; Wang, Y. F.; Krasheninnikov, A. V.; Sun, L. T.; Shen, X. D., Enhanced sensitivity of MoSe2 monolayer for gas adsorption induced by electric field. J. Phys.-Condes. Matter 2019, 31 (44), 8.

68 Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei, Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications. Chemistry of Materials 2019, 31 (15), 5584-5591.

67 Qi, S. C.; Wu, J. K.; Lu, J.; Yu, G. X.; Zhu, R. R.; Liu, Y.; Liu, X. Q.; Sun, L. B., Underlying mechanism of CO2 adsorption onto conjugated azacyclo-copolymers: N-doped adsorbents capture CO2 chiefly through acid-base interaction? Journal of Materials Chemistry A 2019, 7 (30), 17842-17853.

66 Hu, W. Y.; Zhang, C.; Huang, J.; Guo, Y. Y.; Fu, Z. Q.; Huang, W., Access to Highly Functionalized Indanes from Arynes and alpha,gamma-Diketo Esters. Org. Lett. 2019, 21 (4), 941-945.

65 Qi, Shi-Chao; Qian, Xin-Yu; He, Qiu-Xia; Miao, Kang-Jing; Jiang, Yao; Tan, Peng; Liu, Xiao-Qin; Sun, Lin-Bing, Generation of Hierarchical Porosity in Metal–Organic Frameworks by the Modulation of Cation Valence. 0 (0).

64 Li, Wei; Zou, Juan; Zhu, Shiyu; Mao, Xianxian; Tian, Hongyan; Wang, Xiaojian, Fluorodibenzocyclooctynes: A Trackable Click Reagent with Enhanced Reactivity. 0 (0).

63 Li, Peipei; Liu, Zaichun; Wu, Tongwei; Zhang, Ya; Wang, Linyu; Wang, Li; Ji, Lei; Zhang, Youyu; Luo, Yonglan; Wang, Ting; Liu, Shanhu; Wu, Yuping; Liu, Meiling; Sun, Xuping, Ambient electrocatalytic N2 reduction to NH3 by metal fluoride. Journal of Materials Chemistry A 2019.

62 Tao, Hanzhong; Rui, Lei; Li, Wei; Cheng, Jianjie, Numerical study on effect of oscillation center position on heat transfer and flow internal tube. International Journal of Heat and Mass Transfer 2019, 137, 799-808.

61 Xue, Ding-Ming; Qi, Shi-Chao; Zeng, Qiong-Zhen; Lu, Ren-Jie; Long, Jiang-Hai; Luo, Cong; Liu, Xiao-Qin; Sun, Lin-Bing, Fabrication of nitrogen-doped porous carbons derived from ammoniated copolymer precursor: Record-high adsorption capacity for indole. Chemical Engineering Journal 2019, 374, 1005-1012.

60 Tian, Shuai; Ma, Huili; Wang, Xuan; Lv, Anqi; Shi, Huifang; Geng, Yun; Li, Jie; Liang, Fushun; Su, Zhong-Min; An, Zhongfu; Huang, Wei, Utilizing d–pπ Bonds for Ultralong Organic Phosphorescence. 2019, 58 (20), 6645-6649.

59 Xu, Ling-Yu; Zhang, Jing-Zhe; Cai, Fei; Chen, Wei-Yun; Xue, Ying-Ying, Constitutive modeling the undrained behaviors of sands with non-plastic fines under monotonic and cyclic loading. Soil Dynamics and Earthquake Engineering 2019, 123, 413-424.

58 Jiang, D. D.; Li, Q. Q.; Fu, M. X.; Zhao, X. F.; Meng, Q. Y.; Zhao, L. L., Mechanistic insight into the highly regioselective Ni(0)-catalyzed 2+2 self-cycloaddition of electron-deficient allenoates. Catal. Sci. Technol. 2019, 9 (5), 1273-1278.

57 Wang, Q.; Fu, M. X.; Li, X. J.; Huang, R. F.; Glaser, R. E.; Zhao, L. L., Aluminum alkoxy-catalyzed biomass conversion of glucose to 5-hydroxymethylfurfural: Mechanistic study of the cooperative bifunctional catalysis. J. Comput. Chem. 2019, 40 (16), 1599-1608.

56 Chen, Lili; Gu, Boqin; Zhou, Jianfeng, Development of the RSA method for random short fiber reinforced elastomer composites with large fiber aspect ratios. Materials Research Express 2019, 6 (6), 065322.

55 Chen, Lili; Gu, Boqin; Tao, Jiahui; Zhou, Jianfeng, The average response and isotropy of 3D representative volume elements for random distributed short fibers reinforced elastomer. Composite Structures 2019, 216, 279-289.

54 Wang, Q.; Lu, X. F.; Zhen, Y. Z.; Li, W. Q.; Chen, G. H.; Yang, Y. H., Structure, stability, electronic, magnetic, and catalytic properties of monometallic Pd-Au, and bimetallic Pd Au core-shell nanoparticles. J. Chem. Phys. 2018, 149 (24), 8.

53 Gu, Long; Shi, Huifang; Bian, Lifang; Gu, Mingxing; Ling, Kun; Wang, Xuan; Ma, Huili; Cai, Suzhi; Ning, Weihua; Fu, Lishun; Wang, He; Wang, Shan; Gao, Yaru; Yao, Wei; Huo, Fengwei; Tao, Youtian; An, Zhongfu; Liu, Xiaogang; Huang, Wei, Colour-tunable ultra-long organic phosphorescence of a single-component molecular crystal. Nature Photonics 2019.

52 Fang, Yanfeng; Liu, Zaichun; Han, Jingrui; Jin, Zhaoyong; Han, Yaqian; Wang, Faxing; Niu, Yusheng; Wu, Yuping; Xu, Yuanhong, High-Performance Electrocatalytic Conversion of N2 to NH3 Using Oxygen-Vacancy-Rich TiO2 In Situ Grown on Ti3C2Tx MXene. Advanced Energy Materials 2019, 0 (0), 1803406.

51 Lv, Anqi; Ye, Wenpeng; Jiang, Xueyan; Gan, Nan; Shi, Huifang; Yao, Wei; Ma, Huili; An, Zhongfu; Huang, Wei, Room-Temperature Phosphorescence from Metal-Free Organic Materials in Solution: Origin and Molecular Design. The Journal of Physical Chemistry Letters 2019, 1037-1042.

50 Su, W.; Pan, S.; Sun, X.; Wang, S.; Zhao, L. L.; Frenking, G.; Zhu, C. Q., Double dative bond between divalent carbon(O) and uranium. Nat. Commun. 2018, 9, 8.

49 Wang, T. H.; Ambre, R.; Wang, Q.; Lee, W. C.; Wang, P. C.; Liu, Y. H.; Zhao, L. L.; Ong, T. G., Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C-H/C-O Activation. ACS Catal. 2018, 8 (12), 11368-11376.

48 Jin, Jiaye; Pan, Sudip; Jin, Xiaoyang; Lei, Shujun; Zhao, Lili; Frenking, Gernot; Zhou, Mingfei, Octacarbonyl Anion Complexes of the Late Lanthanides Ln(CO)8- (Ln=Tm, Yb, Lu) and the 32-Electron Rule. Chemistry (Weinheim an der Bergstrasse, Germany) 2018.

47 Chi, Chaoxian; Pan, Sudip; Meng, Luyan; Luo, Mingbiao; Zhao, Lili; Zhou, Mingfei; Frenking, Gernot, Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO)3. Angewandte Chemie (International ed. in English) 2019, 58 (6), 1732-1738.

46 Siddiqui, M. M.; Sarkar, S. K.; Sinhababu, S.; Ruth, P. N.; Herbst-Irmer, R.; Stalke, D.; Ghosh, M.; Fu, M. X.; Zhao, L. L.; Casanova, D.; Frenking, G.; Schwederski, B.; Kaim, W.; Roesky, H. W., Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkyl(amino) Carbenes. Journal of the American Chemical Society 2019, 141 (5), 1908-1912.

45 Qu, Ge; Fu, Mingxing; Zhao, Lili; Liu, Beibei; Liu, Pi; Fan, Wenchao; Ma, Jun-An; Sun, Zhoutong, Computational Insights into the Catalytic Mechanism of Bacterial Carboxylic Acid Reductase. Journal of Chemical Information and Modeling 2019.

44 Jiang, Q. W.; Guo, Y. N.; Xu, Z. J.; Yang, X. N., DFT Insights into the Interfacial Chemical Behavior of Hybrid LDH/GO Nanocomposites. J. Phys. Chem. C 2019, 123 (3), 1692-1699.

43 Ma, Huili; Peng, Qian; An, Zhongfu; Huang, Wei; Shuai, Zhigang, Efficient and Long-Lived Room-Temperature Organic Phosphorescence: Theoretical Descriptors for Molecular Designs. Journal of the American Chemical Society 2019, 141 (2), 1010-1015.

42 Li, Xiaoli; Jiang, Hong; Hou, Miaomiao; Liu, Yefei; Xing, Weihong; Chen, Rizhi, Enhanced phenol hydrogenation for cyclohexanone production by membrane dispersion. Chemical Engineering Journal 2019.

41 Qi, Shi-Chao; Liu, Yu; Peng, An-Zhong; Xue, Ding-Ming; Liu, Xin; Liu, Xiao-Qin; Sun, Lin-Bing, Fabrication of porous carbons from mesitylene for highly efficient CO2 capture: A rational choice improving the carbon loop. Chemical Engineering Journal 2019, 361, 945-952.

40 Wang, Jiacheng; Gao, Xuechao; Ji, Guozhao; Gu, Xuehong, CFD simulation of hollow fiber supported NaA zeolite membrane modules. Separation and Purification Technology 2019, 213, 1-10.

39 Xu, Bo; Liu, Zaichun; Qiu, Weibin; Liu, Qian; Sun, Xuping; Cui, Guanwei; Wu, Yuping; Xiong, Xiaoli, La2O3 nanoplate: An efficient electrocatalyst for artificial N2 fixation to NH3 with excellent selectivity at ambient condition. Electrochimica Acta 2019, 298, 106-111.

38 Xiao, Ting; Wang, Fang; Chen, Yahui; Yang, Xiao; Wei, Tingwen; Liu, Chuantao; Chen, Shuangjun; Xu, Zhijun; Yoon, Juyoung; Chen, Xiaoqiang, Pyrene-based bisboronic sensors for multichannel enantioselective recognition of tartaric acid. Dyes and Pigments 2019, 163, 227-231.

37 Li, Jinghua; Liu, Zaichun; Zhang, Qiaobao; Cheng, Yong; Zhao, Bote; Dai, Shuge; Wu, Hong-Hui; Zhang, Kaili; Ding, Dong; Wu, Yuping; Liu, Meilin; Wang, Ming-Sheng, Anion and Cation Substitution in Transition-metal Oxides Nanosheets for High-performance Hybrid Supercapacitors. Nano Energy 2018.

36 Bian, Lifang; Shi, Huifang; Wang, Xuan; Ling, Kun; Ma, Huili; Li, Mengping; Cheng, Zhichao; Ma, Chaoqun; Cai, Suzhi; Wu, Qi; Gan, Nan; Xu, Xiangfei; An, Zhongfu; Huang, Wei, Simultaneously Enhancing Efficiency and Lifetime of Ultralong Organic Phosphorescence Materials by Molecular Self-Assembly. Journal of the American Chemical Society 2018, 140 (34), 10734-10739.

35 Jana, Gourhari; Pan, Sudip; Osorio, Edison; Zhao, Lili; Merino, Gabriel; Chattaraj, Pratim K., Cyanide–isocyanide isomerization: stability and bonding in noble gas inserted metal cyanides (metal = Cu, Ag, Au). Physical Chemistry Chemical Physics 2018, 20 (27), 18491-18502.

34 Pan, Sudip; Cabellos, José Luis; Orozco-Ic, Mesías; Chattaraj, Pratim K.; Zhao, Lili; Merino, Gabriel, Planar pentacoordinate carbon in CGa5+ derivatives. Physical Chemistry Chemical Physics 2018, 20 (18), 12350-12355.

33 Pan, S.; Kar, S.; Saha, R.; Osorio, E.; Zarate, X.; Zhao, L. L.; Merino, G.; Chattaraj, P. K., Boron Nanowheels with Axles Containing Noble Gas Atoms: Viable Noble Gas Bound M (c) B-10(-) Clusters (M=Nb, Ta). Chem.-Eur. J. 2018, 24 (14), 3590-3598.

32 Li, W. L.; Lu, J. B.; Zhao, L. L.; Ponec, R.; Cooper, D. L.; Li, J.; Frenking, G., Electronic Structure and Bonding Situation in M2O2 (M = Be, Mg, Ca) Rhombic Clusters. J. Phys. Chem. A 2018, 122 (10), 2816-2822.

31 Wu, X.; Zhao, L. L.; Jiang, D. D.; Fernandez, I.; Berger, R.; Zhou, M. F.; Frenking, G., Barium as Honorary Transition Metal in Action: Experimental and Theoretical Study of Ba(CO)(+) and Ba(CO)(-). Angew. Chem.-Int. Edit. 2018, 57 (15), 3974-3980.

30 Pan, S.; Zhao, L. L.; Dias, H. V. R.; Frenking, G., Bonding in Binuclear Carbonyl Complexes M-2(CO)(9) (M = Fe, Ru, Os). Inorg. Chem. 2018, 57 (13), 7780-7791.

29 Wu, X.; Zhao, L. L.; Jin, J. Y.; Pan, S.; Li, W.; Jin, X. Y.; Wang, G. J.; Zhou, M. F.; Frenking, G., Observation of alkaline earth complexes M(CO)(8) (M = Ca, Sr, or Ba) that mimic transition metals. Science 2018, 361 (6405), 912-+.

28 Ni, Yuqing; Pan, Yong; Zhang, Jiandu; Gu, Xiaochen; Pan, Xuhai; Jiang, Juncheng; Wang, Qingsheng, Theoretical study on reaction mechanism of thermal decomposition of dialkyl peroxides. Computational and Theoretical Chemistry 2018, 1135, 11-17.

27 Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei, Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence. Journal of Materials Chemistry C 2018, 6 (38), 10179-10183.

26 Wu, Q.; Ma, H. L.; Ling, K.; Gan, N.; Cheng, Z. C.; Gu, L.; Cai, S. Z.; An, Z. F.; Shi, H. F.; Huang, W., Reversible Ultralong Organic Phosphorescence for Visual and Selective Chloroform Detection. ACS Appl. Mater. Interfaces 2018, 10 (39), 33730-33736.

25 Ma, Peng; Pan, Yong; Jiang, Jun-cheng; Zhu, Shun-guan, Molecular Dynamic Simulation and Density Functional Theory Insight into the Nitrogen Rich explosive 1,5-diaminotetrazole(DAT). Procedia Engineering 2018, 211, 546-554.

24 Yang, Lei; Mao, Jie; Yin, Cheng-Zhu; Wu, Xiang-Ping; Liu, Yu-Yu; Xie, Ling-Hai; Ran, Xue-Qin; Huang, Wei, Theoretical studies on 4H-cyclopenta[2,1-b:3,4-b′]dithiophene-based Windmill-shaped nanogrids with low reorganization energies. Chemical Physics 2019, 516, 191-198.

23刘甜,黎军,刘维佳,朱育丹,陆小华,简单的配体改变调控钌配合物催化还原CO₂的活性：硼基配体的对位效应和Ru―H键的性质. 2018, 34 (10), 1097-1105.

22 Li, Jiahui; Zhu, Yudan; Zhang, Yumeng; Gao, Qingwei; Zhu, Wei; Lu, Xiaohua; Shi, Yijun, Extra low friction coefficient caused by the formation of a solid-like layer: A new lubrication mechanism found through molecular simulation of the lubrication of MoS2 nanoslits. Chinese Journal of Chemical Engineering 2018.

21 An, Rong; Zhou, Guobing; Zhu, Yudan; Zhu, Wei; Huang, Liangliang; Shah, Faiz Ullah, Friction of Ionic Liquid-Glycol Ether Mixtures at Titanium Interfaces: Negative Load Dependence. Advanced Materials Interfaces 2018, 5 (14).

20 Yang, Y. T.; Wang, K.; Li, G. Q.; Ran, X. Q.; Song, X.; Gasparini, N.; Zhang, Q. Q.; Lai, X.; Guo, X.; Meng, F.; Du, M. Z.; Huang, W.; Baran, D., Fluorination Triggered New Small Molecule Donor Materials for Efficient As-Cast Organic Solar Cells. Small 2018, 14 (34), 8.

19 Wang, J. Q.; Zhao, Z.; Li, Z. P.; Mao, J. P.; Zhang, W. H.; Guo, C., Multicomponent domino synthesis of 2-(tert-butyl)-4H-pyran-3-carbonitriles and their photophysical properties. Chem. Heterocycl. Compds. 2018, 54 (1), 25-31.

18 Gao, Q. W.; Zhu, Y. D.; Ji, X. Y.; Zhu, W.; Lu, L. H.; Lu, X. H., Effect of water concentration on the microstructures of choline chloride/urea (1:2)/water mixture. Fluid Phase Equilib. 2018, 470, 134-139.

17 Jin, Y. Z.; Xu, Z. J.; Guo, Y. A.; Yang, X. N., Molecular-Level Recognition of Interaction Mechanism between Graphene Oxides in Solvent Media. J. Phys. Chem. C 2018, 122 (7), 4063-4072.

16 Zhang, X.; Liu, S. Y.; Liu, H.; Zhang, J. W.; Yang, X. N., Molecular dynamics simulation of the mechanical properties of multilayer graphene oxide nanosheets (vol 7, pg 55005, 2017). RSC Adv. 2018, 8 (40), 22785-22785.

15 Chen, Luohao; Guo, Yanan; Xu, Zhijun; Yang, Xiaoning, Multiscale Simulation of the Interaction and Adsorption of Ions on a Hydrophobic Graphene Surface. Chemphyschem : a European journal of chemical physics and physical chemistry 2018.

14 Zhang, X.; Zhou, W.; Xu, F.; Wei, M. J.; Wang, Y., Resistance of water transport in carbon nanotube membranes. Nanoscale 2018, 10 (27), 13242-13249.

13 Chen, G.; Guo, Y. A.; Miao, S. S.; Sun, H. N.; Gu, B. B.; Li, W. H.; Zhong, Y. J.; Zhou, W.; Shao, Z. P., Constructing self-standing and non-precious metal heterogeneous nanowire arrays as high-performance oxygen evolution electrocatalysts: Beyond the electronegativity effect of the substrate. J. Power Sources 2018, 396, 421-428.

12 Yu, J.; Guo, Y. A.; Miao, S. S.; Ni, M.; Zhou, W.; Shao, Z. P., Spherical Ruthenium Disulfide-Sulfur-Doped Graphene Composite as an Efficient Hydrogen Evolution Electrocatalyst. ACS Appl. Mater. Interfaces 2018, 10 (40), 34098-34107.

11 Wei, Q. C.; Zhao, W. L.; Yang, Y.; Cui, B. L.; Xu, Z. J.; Yang, X. N., Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality. ChemPhysChem 2018, 19 (6), 690-702.

10 Xu, Z. J.; Wei, Q. C.; Zhao, W. L.; Cui, Q.; Sahai, N., Essence of Small Molecule-Mediated Control of Hydroxyapatite Growth: Free Energy Calculations of Amino Acid Side Chain Analogues. J. Phys. Chem. C 2018, 122 (8), 4372-4380.

9 Xu, Z. J.; Yang, X.; Wei, Q. C.; Zhao, W. L.; Cui, B. L.; Yang, X. N.; Sahai, N., Quantitatively Identifying the Roles of Interfacial Water and Solid Surface in Governing Peptide Adsorption. Langmuir 2018, 34 (26), 7932-7941.

8 Wang, X. S.; Wang, Z. W.; Zhang, J. D.; Wang, X.; Zhang, Z. P.; Wang, J. L.; Zhu, Z. H.; Li, Z. Y.; Liu, Y.; Hu, X. F.; Qiu, J. W.; Hu, G. H.; Chen, B.; Wang, N.; He, Q. Y.; Chen, J. Z.; Yan, J. X.; Zhang, W.; Hasan, T.; Li, S. Z.; Li, H.; Zhang, H.; Wang, Q.; Huang, X.; Huang, W., Realization of vertical metal semiconductor heterostructures via solution phase epitaxy. Nat. Commun. 2018, 9, 11.

7 Yu, F.; Liu, Z. C.; Zhou, R. W.; Tan, D. M.; Wang, H. X.; Wang, F. X., Pseudocapacitance contribution in boron-doped graphite sheets for anion storage enables high-performance sodium-ion capacitors. Mater. Horizons 2018, 5 (3), 529-535.

6 Wang, C.; Wang, F. X.; Liu, Z. C.; Zhao, Y. J.; Liu, Y.; Yue, Q.; Zhu, H. W.; Deng, Y. H.; Wu, Y. P.; Zhao, D. Y., N-doped carbon hollow microspheres for metal-free quasi-solid-state full sodium-ion capacitors. Nano Energy 2017, 41, 674-680.

5 Zhang, P. P.; Zhao, X. N.; Liu, Z. C.; Wang, F. X.; Huang, Y.; Li, H. Y.; Li, Y.; Wang, J. H.; Su, Z. Q.; Wei, G.; Zhu, Y. S.; Fu, L. J.; Wu, Y. P.; Huang, W., Exposed high-energy facets in ultradispersed sub-10 nm SnO2 nanocrystals anchored on graphene for pseudocapacitive sodium storage and high-performance quasi-solid-state sodium-ion capacitors. NPG Asia Mater. 2018, 10, 429-440.

4 Huang, T.; Liu, Z. C.; Li, Y. L.; Li, Y. Q.; Chao, L.; Chen, C.; Tan, Y. M.; Xie, Q. J.; Yao, S. Z.; Wu, Y. P., Oxidative polymerization of 5-hydroxytryptamine to physically and chemically immobilize glucose oxidase for electrochemical biosensing. Anal. Chim. Acta 2018, 1013, 26-35.

3 Han, J. R.; Liu, Z. C.; Ma, Y. J.; Cui, G. W.; Xie, F. Y.; Wang, F. X.; Wu, Y. P.; Gao, S. Y.; Xu, Y. H.; Sun, X. P., Ambient N-2 fixation to NH3 at ambient conditions: Using Nb2O5 nanofiber as a high-performance electrocatalyst. Nano Energy 2018, 52, 264-270.

2 Zhu, X. J.; Liu, Z. C.; Liu, Q.; Luo, Y. L.; Shi, X. F.; Asiri, A. M.; Wu, Y. P.; Sun, X. P., Efficient and durable N-2 reduction electrocatalysis under ambient conditions: beta-FeOOH nanorods as a non-noble-metal catalyst. Chem. Commun. 2018, 54 (80), 11332-11335.

1 Li, T. L.; Liu, Z. C.; Zhu, L.; Dai, F.; Hu, L.; Zhang, L.; Wen, Z. B.; Wu, Y. P., Cr2O3 nanoparticles: a fascinating electrode material combining both surface-controlled and diffusion-limited redox reactions for aqueous supercapacitors. J. Mater. Sci. 2018, 53 (24), 16458-16465.