English

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

• Yin Yuan ^{1,2, ,} ,
• Guo Zhendong ^2, ,
• Chen Gaoyuan ^2, ,
• Zhang Huifeng ^2, ,
• Yin Wan-Jian ^{2, ,}

• 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

Author Bio: 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;

Corresponding author: Yin Yuan, yinyuan8008@126.com Yin Wan-Jian, wjyin@suda.edu.cn

• Received Date: 17 August 2020
  Accepted Date: 09 September 2020
  Revised Date: 07 September 2020
  Available Online: 15 April 2021
• Fund Project:

  The project was supported by the National Natural Science Foundation of China (11674237, 11974257, 51602211), and the Young Talent Fund of University Association for Science and Technology in Shaanxi Province, China (20180507)

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 V_I and V_MA, form shallow level traps in CH₃NH₃PbI₃. The structural and electronic characteristics of the charged point defect V_I- 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

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