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Vol. 13 (2021)

Mediating the Local Oxygen-Bridge Interactions of Oxysalt/Perovskite Interface for Defect Passivation of Perovskite Photovoltaics

https://doi.org/10.1007/s40820-021-00683-7
Ze Qing Lin
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Hui Jun Lian
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Bing Ge
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Ziren Zhou
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Haiyang Yuan
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Yu Hou
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Shuang Yang
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China
Hua Gui Yang
Key Laboratory for Ultrafine Materials of Ministry of Education, Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, People’s Republic of China

Corresponding Author: Shuang Yang

syang@ecust.edu.cn

Nano-Micro Letters, Vol. 13 (2021), Article Number: 177

Abstract

Passivation, as a classical surface treatment technique, has been widely accepted in start-of-the-art perovskite solar cells (PSCs) that can effectively modulate the electronic and chemical property of defective perovskite surface. The discovery of inorganic passivation compounds, such as oxysalts, has largely advanced the efficiency and lifetime of PSCs on account of its favorable electrical property and remarkable inherent stability, but a lack of deep understanding of how its local configuration affects the passivation effectiveness is a huge impediment for future interfacial molecular engineering. Here, we demonstrate the central-atom-dependent-passivation of oxysalt on perovskite surface, in which the central atoms of oxyacid anions dominate the interfacial oxygen-bridge strength. We revealed that the balance of local interactions between the central atoms of oxyacid anions (e.g., N, C, S, P, Si) and the metal cations on perovskite surface (e.g., Pb) generally determines the bond formation at oxysalt/perovskite interface, which can be understood by the bond order conservation principle. Silicate with less electronegative Si central atoms provides strong O-Pb motif and improved passivation effect, delivering a champion efficiency of 17.26% for CsPbI2Br solar cells. Our strategy is also universally effective in improving the device performance of several commonly used perovskite compositions.


Highlights:


1 Oxyacid anions (NO3−, SO42−, CO32−, PO43− and SiO32−) were investigated both theoretically and experimentally about their passivation effect on CsPbI2Br perovskite interface.
2 Adjustment of oxysalt layer thickness can optimize the surface band position that could be beneficial for electronic band alignment at perovskite/transport layer interface.
3 Using silicate as a passivator, the CsPbI2Br solar cells achieved a PCE of 17.26% with an open-circuit voltage of 1.36 V. This strategy is also effective for organic-inorganic perovskite solar cells.

Keywords

Solar cell Lead halide perovskite Passivation Oxysalt Central atom
Lin, Ze Qing, Hui Jun Lian, Bing Ge, Ziren Zhou, Haiyang Yuan, Yu Hou, Shuang Yang, and Hua Gui Yang. 2021. “Mediating the Local Oxygen-Bridge Interactions of Oxysalt/Perovskite Interface for Defect Passivation of Perovskite Photovoltaics”. Nano-Micro Letters 13 (August):177. https://doi.org/10.1007/s40820-021-00683-7.
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