报告时间：2017年5月16日上午9:00
报告地点：科技创新大楼C501
报告题目：Computational Design of Functional Semiconductor Materials

Computational Design of Functional Semiconductor Materials
张立军
吉林大学材料科学与工程学院

Functional semiconductor materials are widely used in many applications such as electronics, optoelectronics, thermoelectrics, quantum information, etc. Discovery of new semiconductors via rational design is of crucial importance for making breakthrough enhancement of materials performance in applications. With dramatically increasing computing capability of supercomputers and continuously developed computational algorithms, people can resort to materials simulation to explore the properties of thousands of potentially useful materials in a fraction of time that the real experiments might take. This makes theoretical design of functional materials with desired properties in computers come true. In this talk depending on time I will present our recent work on computational materials by design for several functional semiconductor systems [1-8] (e.g., solar absorbers, transparent conductors, low-dimensional semiconductors, etc.). I will also share our concerns about the challenges and potential solutions for realizing the truly sense of materials by design.

References:
1. Lijun Zhang et al., Nano Lett. 12, 984 (2012).
2. Lijun Zhang* et al., Nano Lett. 15, 949 (2015).
3. Lijun Zhang* et al., Nano Lett. 15, 88 (2015).
4. Lijun Zhang* et al., Chem. Mater. 29, 2459 (2017).
5. Lijun Zhang* et al., Chem. Mater. 29, 524 (2017).
6. Lijun Zhang* et al., J. Am. Chem. Soc. 139, 2630 (2017).
7. Lijun Zhang* et al., J. Am. Chem. Soc. 10.1021/jacs.7b02120 (2017).
8. Lijun Zhang* et al., J. Am. Chem. Soc. 10.1021/jacs.7b01815 (2017).

个人简介：
张立军，男，吉林大学材料科学与工程学院，教授&博士生导师，入选吉林省高层次创新创业人才引进计划。2008年在吉林大学获理学博士学位，2008－2014年先后到美国橡树岭国家实验室、美国国家可再生能源实验室、美国科罗拉多大学波尔得分校任博士后研究员、研究助理教授。长期基于大规模材料计算机模拟，从事半导体功能材料的能带调控和新材料设计研究。共发表SCI论文~65篇，第一／通讯作者论文（38篇）包括Nature Commun. (1)、Nature Reviews Materials (1)、Phys. Rev. Lett. (2)、J. Am. Chem. Soc. (3)、Nano Lett. (4)、ACS Nano (1)、Chem. Mater. (4)、Phys. Rev. B (14)。论文共被SCI引用1800余次，H因子值为20。担任《Scientific Reports》、《Journal of Semiconductors》期刊编委。