物理化学学报 >> 2021, Vol. 37 >> Issue (4): 2008048.doi: 10.3866/PKU.WHXB202008048

所属专题： 金属卤化物钙钛矿光电材料和器件

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卤化钙钛矿太阳能电池的缺陷容忍及缺陷钝化研究进展

尹媛1,2,*(), 郭振东2, 陈高远2, 张慧峰2, 尹万健2,*()   

  1. 1 宝鸡文理学院，物理与光电技术学院，陕西 宝鸡 721013
    2 苏州大学能源学院，苏州能源与材料创新研究所，江苏 苏州 215006
  • 收稿日期:2020-08-17 录用日期:2020-09-09 发布日期:2020-09-14
  • 通讯作者: 尹媛,尹万健 E-mail:yinyuan8008@126.com;wjyin@suda.edu.cn
  • 作者简介:Yuan Yin received her BS (2011) and PhD degrees in department of applied physics from Baoji University of Arts and Sciences and Xi'an Jiaotong University. She now works at College of Physics and Optoelectronic Technology in Baoji University of Arts and Sciences. Her research focuses on computational study of solar energy materials and defect physics in semiconductors
    Wan-Jian Yin is a professor in Soochow Institute for Energy and Materials InnovationS (SIEMIS) in Soochow University, China. He received his BS (2004) and PhD (2009) from Fudan University, China. He worked at the National Renewable Energy Laboratory (NREL) and University of Toledo, USA from 2009 to 2015. His research interests include computational study of solar energy materials, defect physics in semiconductors and machine-learning on material design
  • 基金资助:
    国家自然科学基金(11674237);国家自然科学基金(11974257);国家自然科学基金(51602211);陕西省青年人才托举计划(20180507)

Recent Progress in Defect Tolerance and Defect Passivation in Halide Perovskite Solar Cells

Yuan Yin1,2,*(), Zhendong Guo2, Gaoyuan Chen2, Huifeng Zhang2, Wan-Jian Yin2,*()   

  1. 1 College of Physics and Optoelectronic Technology, Baoji University of Arts and Sciences, Baoji 721013, Shaanxi Province, China
    2 College of Energy, Soochow Institute for Energy and Materials InnovationS (SIEMIS), Soochow University, Suzhou 215006, Jiangsu Province, China
  • Received:2020-08-17 Accepted:2020-09-09 Published:2020-09-14
  • Contact: Yuan Yin,Wan-Jian Yin E-mail:yinyuan8008@126.com;wjyin@suda.edu.cn
  • About author:Email: wjyin@suda.edu.cn (W.Y.)
    Email: yinyuan8008@126.com (Y.Y.)
  • Supported by:
    the National Natural Science Foundation of China(11674237);the National Natural Science Foundation of China(11974257);the National Natural Science Foundation of China(51602211);the Young Talent Fund of University Association for Science and Technology in Shaanxi Province, China(20180507)

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摘要：

缺陷在钙钛矿太阳能电池的快速发展中起着至关重要的作用。缺陷容忍性，即金属卤化钙钛矿的主导缺陷是浅能级缺陷，它们不会成为强非辐射复合中心，这被认为是金属卤化钙钛矿的独特特性，是其具有高光电转换效率的主要原因。然而，要进一步提高金属卤化钙钛矿的光电转换效率，就需要消除一些可作为非辐射复合中心并严重影响器件性能的少量深能级缺陷，包括点缺陷、晶界、表面和界面等。本文综述了缺陷容忍的研究进展，包括软声子模式和极化子效应。此外，还总结了缺陷钝化的策略，包括通过阳离子或阴离子来钝化离子键，以及通过路易斯酸或路易斯碱来钝化配位键等。

关键词: 缺陷容忍, 缺陷钝化, 钙钛矿, 太阳能电池, 光电转换效率

Abstract:

In less than a decade, metal halide perovskites (MHPs) have been demonstrated as promising solar cell materials because the photoelectric conversion efficiency (PCE) of the representative material CH3NH3PbI3 rapidly increased from 3.8% in 2009 to 25.2% in 2009. However, defects play crucial roles in the rapid development of perovskite solar cells (PSCs) because they can influence the photovoltaic parameters of PSCs, such as the open circuit voltage, short-circuit current density, fill factor, and PCE. Among a series of superior optoelectronic properties, defect tolerance, i.e., the dominate defects are shallow and do not act as strong nonradiative recombination centers, is considered to be a unique property of MHPs, which is responsible for its surprisingly high PCE. Currently, the growth of PCE has gradually slowed, which is due to low concentrations of deep detrimental defects that can influence the performances of PSCs. To further improve the PCE and stability of PSCs, it is necessary to eliminate the impact of these minor detrimental defects in perovskites, including point defects, grain boundaries (GBs), surfaces, and interfaces, because nonradiative recombination centers seriously affect device performance, such as carrier generation and transport. Owing to its defect tolerance, most intrinsic point defects, such as VI and VMA, form shallow level traps in CH3NH3PbI3. The structural and electronic characteristics of the charged point defect VI- are similar to those of the unknown donor center in a tetrahedral semiconductor. It is a harmful defect caused by a large atomic displacement and can be passivated to strengthen chemical bonds and prevent atom migration by the addition of Br atoms. Owing to the ionic nature of MHPs and high ion migration speed, there are a large number of deep detrimental defects that can migrate to the interfaces under an electric field and influence the performance of PSCs. In addition, the ionic nature of MHPs results in surface/interface dangling bonds terminated with cations or anions; thus, deep defects can be passivated through Coulomb interactions between charged ions and passivators. Hence, the de-active deep-level traps resulting from charged defects can be passivated via coordinate bonding or ionic bonding. Usually, surface-terminated anions or cations can be passivated by corresponding cations or anions through ionic bonding, and Lewis acids or bases can be passivated through coordinated bonding. In this review, we not only briefly summarize recent research progress in defect tolerance, including the soft phonon mode and polaron effect, but also strategies for defect passivation, including ionic bonding with cations or anions and coordinated bonding with Lewis acids or bases.

Key words: Defect tolerance, Defect passivation, Perovskite, Solar cell, Photoelectric conversion efficiency