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Efficient wide-bandgap perovskite photovoltaics with homogeneous halogen-phase distribution

Rui Wang, Xiaoyu Liu, Shan Yan, Ni Meng, Xinmin Zhao, Yu Chen, Hongxiang Li, Saif M. H. Qaid, Shaopeng Yang (), Mingjian Yuan and Tingwei He ()
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Rui Wang: Hebei University
Xiaoyu Liu: Hebei University
Shan Yan: Hebei University
Ni Meng: Hebei University
Xinmin Zhao: Hebei University
Yu Chen: CAS
Hongxiang Li: Sichuan University
Saif M. H. Qaid: King Saud University
Shaopeng Yang: Hebei University
Mingjian Yuan: Nankai University
Tingwei He: Hebei University

Nature Communications, 2024, vol. 15, issue 1, 1-11

Abstract: Abstract Wide-bandgap (WBG) perovskite solar cells (PSCs) are employed as top cells of tandem cells to break through the theoretical limits of single-junction photovoltaic devices. However, WBG PSCs exhibit severe open-circuit voltage (Voc) loss with increasing bromine content. Herein, inhomogeneous halogen-phase distribution is pointed out to be the reason, which hinders efficient extraction of carriers. We thus propose to form homogeneous halogen-phase distribution to address the issue. With the help of density functional theory, we construct a double-layer structure (D-2P) based on 2-(9H-Carbazol-9-yl)ethyl]phosphonic acid molecules to provide nucleation sites for perovskite crystallization. Homogeneous perovskite phase is achieved through bottom-up templated crystallization of halogen component. The efficient carrier extraction reduces the Shockley-Read-Hall recombination, resulting in a high Voc of 1.32 V. As a result, D-2P-treated device (1.75 eV) achieves a record power conversion efficiency of 20.80% (certified 20.70%), which is the highest value reported for WBG (more than 1.74 eV) PSCs.

Date: 2024
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DOI: 10.1038/s41467-024-53344-9

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