Doping optimization of organic-inorganic hybrid perovskite CH3NH3PbI3 for high thermoelectric efficiency
文献类型：期刊论文
| 作者 | Zhao, Tianqi1; Wang, Dong1; Shuai, Zhigang1,2 |
| 刊名 | SYNTHETIC METALS
 |
| 出版日期 | 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 |
| 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. |
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来源：化学研究所
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