ABX_3型钙钛矿材料光电特性实验设计  

Design of experiment for photoelectronic properties of ABX_3-type perovskite material

作　　者：魏淑贤 李邵仁 鲁效庆 

机构地区：[1]中国石油大学(华东)理学院,山东青岛266580

出　　处：《实验技术与管理》2017年第5期48-51,63,共5页Experimental Technology and Management

基　　金：国家自然科学基金项目(21303266);中国石油大学(华东)研究生教育研究与教学改革项目(YJ-B1414);中国石油大学(华东)教学实验技术改革项目(SY-B201425)

摘　　要：依据当今材料实验的前沿研究热点,设计研究型"ABX3型钙钛矿材料光电特性的机理研究"实验。借助于VASP量化软件包、VESTA可视化软件及Origin绘图软件等,构建了MAPbI3(MA=CH3NH3+)新型钙钛矿模型,优化初始构建模型,计算钙钛矿的光电特性,并结合实验数据对比分析理论成果,为实验研究提供理论阐释与指导。教学实践表明,该实验不仅有助于学生掌握常用量化软件的使用方法,熟悉材料计算模拟流程及理论分析手段,而且培养了学生的创新能力,提高了科研兴趣。On the basis of the frontier research issue of material experiments, a research-oriented experiment for the mechanism of the photoelectronic properties of ABX3 type perovskite material is designed.By means of VASP （Vienna ab-initio simulation package） quantitative software package, VESTA visual software and Origin graphics software, the MAPbI3 （MA =CH3NH3＋） new perovskite model is established, the initial configuration is optimized and the photoelectronic properties of perovskite material are calculated.Combined with the experimental data, the theoretical results are analyzed and compared so as to provide the theoretical explanation and guidance for experimental research.Teaching practice shows that the experiment can not only help the students to master the application method of quantitative software and understand the simulation process of material computation and theoretical analysis methods, but also cultivate their innovative ability and improve their research interest.

关 键 词：钙钛矿 光电特性 量化计算 

分 类 号：G642.0[文化科学—高等教育学] TM914.4[文化科学—教育学]