Small Photocarrier Effective Masses Featuring Ambipolar Transport in Methylammonium Lead Iodide Perovskite: A Density Functional Analysis

被引：637
|
作者：
Giorgi, Giacomo [1 ,2 ]
Fujisawa, Jun-Ichi [1 ,3 ]
Segawa, Hiroshi [1 ]
Yamashita, Koichi [2 ]
机构：
[1] Univ Tokyo, RCAST, Meguro Ku, Tokyo 1538904, Japan
[2] Univ Tokyo, Sch Engn, Dept Chem Syst Engn, Bunkyo Ku, Tokyo 1538904, Japan
[3] Japan Sci & Technol Agcy JST, Precursory Res Embryon Sci & Technol PRESTO, Kawaguchi, Saitama 3320012, Japan
来源：
JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2013年 / 4卷 / 24期
基金：
日本学术振兴会;
关键词：
TOTAL-ENERGY CALCULATIONS; SOLAR-CELLS; EFFICIENCY; LENGTHS;
D O I：
10.1021/jz4023865
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：
Methylammonium lead iodide perovskite (CH3NH3PbI3) plays an important role in light absorption and carrier transport in efficient organic-inorganic perovskite solar cells. In this Letter, we report the first theoretical estimation of effective masses of photocarriers in CH3NH3PbI3. Effective masses of photogenerated electrons and holes were estimated to be m(e)* = 0.23m(0) and m(h)* = 0.29m(0), respectively, including spin-orbit coupling effects. This result is consistent with the long-range ambipolar transport property and with the larger diffusion constant for electrons compared with that for holes in the perovskite, which enable efficient photovoltaic conversion.
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页码：4213 / 4216
页数：4
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