Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy

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成果类型：

期刊论文

作者：

Li, Wei;Sun, Yi-Yang;Li, Linqiu;Zhou, Zhaohui;Tang, Jianfeng*;...

通讯作者：

Tang, Jianfeng;Prezhdo, Oleg V.

作者机构：

[Tang, Jianfeng; Li, Wei] Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.

[Sun, Yi-Yang] Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 201899, Peoples R China.

[Li, Linqiu; Prezhdo, Oleg V.] Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA.

[Zhou, Zhaohui] Changan Univ, Sch Environm Sci & Engn, Chem Engn & Technol, Xian 710064, Shaanxi, Peoples R China.

[Zhou, Zhaohui] Changan Univ, Minist Educ, Key Lab Subsurface Hydrol & Ecol Effects Arid Reg, Xian 710064, Shaanxi, Peoples R China.

通讯机构：

[Tang, Jianfeng] H

[Prezhdo, Oleg V.] U

Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.

Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA.

语种：

英文

期刊：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

ISSN：

0002-7863

年：

2018

卷：

140

期：

页码：

15753-15763

DOI：

10.1021/jacs.8b08448

基金类别：

U.S. Department of EnergyUnited States Department of Energy (DOE) [DE-SC0014429]; Hunan Agricultural University [540499818006]; National Nature Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51301066]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [11774365]

机构署名：

本校为第一且通讯机构

院系归属：

理学院

摘要：

Advances in perovskite solar cells require development of means to control and eliminate the nonradiative charge recombination pathway. Using ab initio nonadiabatic molecular dynamics, we demonstrate that charge recombination in perovskites is extremely sensitive to the charge state of the halogen vacancy. A missing iodine anion in MAPbI3 has almost no effect on charge losses. However, when the vacancy is reduced, the recombination is accelerated by up to 2 orders of magnitude. The acceleration occurs due to formation of a deep hole trap in the...

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Control of Charge Recombination in Perovskites by Oxidation State of Halide Vacancy

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