报告人：魏苏淮教授（北京计算科学研究中心）

报告题目: Band Structure Engineering and Defect Control of Oxides for Energy Applications

报告时间：2017年11月3日（星期五）下午14:30—16:00

报告地点：图书馆报告厅

主办单位：科学技术研究院，物理学院

报告人简介：

魏苏淮教授现任北京计算科学研究中心讲座教授、材料与能源研究部主任，中组部“****”专家，国家重点专项首席科学家，美国物理学会会士（APS Fellow），美国材料学会会士（MRS Fellow）。

1981年本科毕业于复旦大学，1985年在美国威廉玛丽学院取得理学博士学位，1985年-2015年在美国可再生能源国家实验室(NREL)历任博士后、科学家、资深科学家、首席科学家、理论研究室主任，实验室Fellow。2007年被复旦大学聘为****讲座教授。发展了全电子FLAPW计算程序，在半导体缺陷、合金、能带计算、掺杂机制、能源材料设计等领域取得了大量原创性且具有国际影响力的科研成果。发表SCI论文460余篇，包括68篇Physical Review Letters。论文引用41000多次，H因子~101。

报告摘要：Transition metal oxides play an essential role in modern optoelectronic devices because they have many unique physical properties such as structure diversity, superb stability in solution, good catalytic activity, and simultaneous high electron conductivity and optical transmission. Therefore, they are widely used in energy related optoelectronic applications such as photovoltaics and photoelectrochemical (PEC) fuel generation. In this talk, using first-principles band structure calculations, I will discuss the electronic, optical, and doping properties of oxides and address some fundamental questions related to their unique materials properties such as (i) why most of the transparent conducting oxides (TCOs) are n-type and how to engineer band structure of a transparent oxide so it can be doped both p- and n-type? (ii) How to achieve optimal n-type conductivity through extrinsic doping, what type of dopants one should use? (iv) Why amorphous TCO can have good electrical conductivity even without passivation? (v) How to engineer the band structure of oxides through defect control for PEC water splitting and battery applications.