Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency

	Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency
	Zhao, Tianqi 1; Wang, Dong 1; Shuai, Zhigang 1,2
刊名	SYNTHETIC METALS
	2017-03-01
卷号	225 页码:108-114
关键词	Organic-inorganic Hybrid Perovskite Thermoelectric Transport First-principles Calculations
英文摘要	The newly discovered photovoltaic hybrid perovskite materials have been suggested for thermoelectric applications as they possess very low thermal conductivity and large Seebeck coefficient. However, to achieve a high figure of merit, chemical doping is necessary to increase the electrical conductivity. In the present work, we examined the thermoelectric figure of merit for CH3NH3PbI3 as a function of carrier concentration based on first-principles calculations. For doped semiconductors, the impurity scattering usually plays a dominant role in the charge transport. Both impurity scattering and acoustic phonon scattering have been incorporated in our calculations. We showed that at the impurity concentration of 10(18) cm(-3), the room temperature zT value of tetragonal CH3NH3PbI3 could be optimized to reach unity at the carrier concentration on the same order of magnitude as 10(18) cm(-3). The hole-doped CH3NH3PbI3 exhibits superior thermoelectric property than the electron-doped one, and we propose to engineer the vacancies of organic cations for the enhanced hole concentration and thermoelectric efficiency. (C) 2017 Elsevier B.V. All rights reserved.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/38234]
专题	化学研究所_有机固体实验室
作者单位	1.Tsinghua Univ, Dept Chem, MOE Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China 2.Chinese Acad Sci, Inst Chem, BNLMS, Key Lab Organ Solids, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Tianqi,Wang, Dong,Shuai, Zhigang. Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency[J]. SYNTHETIC METALS,2017,225:108-114.
APA	Zhao, Tianqi,Wang, Dong,&Shuai, Zhigang.(2017).Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency.SYNTHETIC METALS,225,108-114.
MLA	Zhao, Tianqi,et al."Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency".SYNTHETIC METALS 225(2017):108-114.