报告题目：多元半导体光伏材料中点缺陷的计算模拟

报告人：  陈时友 研究员 博士生导师

工作单位：华东师范大学 信息科学技术学院

报告时间：2017年06月27日（星期二）下午16：00-17:30

报告地点：特种功能材料重点实验室二楼会议室  

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报告人简介：

陈时友，华东师范大学极化材料与器件教育部重点实验室研究员。2009年获复旦大学理学博士学位，随后到华东师范大学工作，先后任副研究员、研究员(博导)；2011-2013年，到美国劳伦斯-伯克利国家实验室从事博士后研究，参与该实验室与加州理工学院共建的人工光合作用联合研究中心的工作。主要从事半导体光电材料的计算模拟和理论设计研究，围绕新型太阳能电池材料的设计和优化、多元半导体的物性等方面研究发表论文70余篇，被SCI引用3600余次。

报告摘要： Through first-principles calculations, we can calculate the properties of the defects and dopants in new semiconductors and predict whether there are high concentration of deep-level defects or dopants that may act as electron-hole recombination centers, which can accelerate the discovery of photovoltaic semiconductors with high energy-conversion efficiency. In this seminar I will discuss such first-principles study in three semiconductor systems, including the quaternary I2-II-IV-VI4 (Cu2ZnSnS4, Cu2ZnSnSe4, Ag2ZnSnS4, Ag2ZnSnSe4), the ternary I-III-VI2 (CuInSe2 and CuGaSe2) and I-V-VI2 (CuSbS2 and CuSbSe2), which were all proposed as the candidate photovoltaic materials with high efficiency. Based on the calculated formation energies (concentration) and transition energy levels of possible defects and dopants, I will discuss the influence of the chemical composition and growth conditions on the defect formation/ionization and the electrical and optical properties of the samples.