卤化物钙钛矿光伏材料的优化设计研究进展

赵电龙; 李天姝; 徐巧玲; 王雪婷; 张立军

doi:10.3788/CO.20191205.0964

Volume 12 Issue 5

Oct. 2019

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Chinese Optics > 2019 > 12(5): 964-992.

ZHAO Dian-long, LI Tian-shu, XU Qiao-ling, WANG Xue-ting, ZHANG Li-jun. Recent research progress on optimal design of halide perovskite photovoltaic materials[J]. Chinese Optics, 2019, 12(5): 964-992. doi: 10.3788/CO.20191205.0964

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ZHAO Dian-long, LI Tian-shu, XU Qiao-ling, WANG Xue-ting, ZHANG Li-jun. Recent research progress on optimal design of halide perovskite photovoltaic materials[J]. Chinese Optics, 2019, 12(5): 964-992. doi: 10.3788/CO.20191205.0964

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Recent research progress on optimal design of halide perovskite photovoltaic materials

doi: 10.3788/CO.20191205.0964

ZHAO Dian-long^{1, †
,},
LI Tian-shu^{1, †
,},
XU Qiao-ling²,
WANG Xue-ting¹,
ZHANG Li-jun^{1
,
,}

1.
School of Materials Science and Engineering, Jilin University, Changchun 130012, China
2.
Center for Computational Sciences, Sichuan Normal University, Chengdu 610068, China

Funds:

National Natural Science Foundation of China 61722403

More Information

Corresponding author: ZHANG Li-jun, E-mail: lijun_zhang@jlu.edu.cn
Received Date: 28 Feb 2019
Rev Recd Date: 03 Apr 2019
Publish Date: 01 Oct 2019

Abstract

Abstract

Organic-inorganic halide perovskite, as represented by CH₃NH₃PbI₃, has been attracting increasing attention due to its advanced optoelectronic properties, such as suitable band gaps, high optical absorption, bipolar carrier conductivity, ultralong carrier diffusion length and appropriate exciton binding energy. At present, solar cells based on organic-inorganic halide perovskite have gained enormous significance and reached a power conversion efficiency exceeding 25%, which was less than 4% in 2009. In addition, combined with the low-cost solution spin-coating method for sample preparation, perovskite materials have become the focus of research in the field of novel solar cells. Researchers have been addressing the key challenges facing lead halide perovskites, including their stability and toxicity issues. In this paper, research progress on the optimal designs of halide perovskite photovoltaic materials is reviewed in detail, including single(AMX₃), double(A₂MM'X₆), ordered-vacancy double(A₂MX₆), 2D(A'₂A_n-1M_nX_3n+1) perovskites and perovskite-like(A₃M₂X₉) materials. Through rational design, the material stability and toxicity of perovskites have been solved or improved to some extent but the photovoltaic performance has yet to be further optimized. In this research, the first-principles of high-throughput material simulation showed predictive ability in material design. The results of interactive feedback and mutual verification with experimental research were obtained. In addition, the problems introduced by new materials in rational designs are discussed and a powerful method for addressing these problems is proposed.
- solar cell,
- halide perovskites,
- optoelectronic conversion,
- materials by design

^†These authors contribute equally

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References(167)

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