H-Center and V-Center Defects in Hybrid Halide Perovskites

被引：50

作者：

Whalley, Lucy D. ^{[1
,2
]}

Crespo-Otero, Rachel ^{[3
]}

Walsh, Aron ^{[1
,2
,4
]}

机构：

[1] Imperial Coll London, Thomas Young Ctr, Exhibit Rd, London SW7 2AZ, England

[2] Imperial Coll London, Dept Mat, Exhibit Rd, London SW7 2AZ, England

[3] Queen Mary Univ London, Sch Biol & Chem Sci, London E1 4NS, England

[4] Yonsei Univ, Dept Mat Sci & Engn, Seoul 03722, South Korea

来源：

ACS ENERGY LETTERS | 2017年 / 2卷 / 12期

基金：

英国工程与自然科学研究理事会;

关键词：

SOLAR-CELLS; MECHANISM; LOSSES; HOLE;

D O I：

10.1021/acsenergylett.7b00995

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The self-trapping of holes with the formation of a molecular X-2(-) anion is a well-established process in metal halide (MX) crystals, but V-center (2X(-) + h(+) -> X-2(-)) and H-center (X- + X-i(-) + h(+)-> X-2(-)) defects have not yet been confirmed in halide perovskite semiconductors. The I-2(-) split-interstitial defect is predicted to be a spin radical in CH3NH3PbI3 with an optically excited state in the semiconductor band gap.

引用

页码：2713 / 2714

页数：2

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