Bifunctional hole-shuttle molecule for improved interfacial energy level alignment and defect passivation in perovskite solar cells

Shuai You, Felix T. Eickemeyer, Jing Gao, Jun-Ho Yum, Xin Zheng, Dan Ren, Meng Xia, Rui Guo, Yaoguang Rong, Shaik M. Zakeeruddin, Kevin Sivula, Jiang Tang, Zhongjin Shen (), Xiong Li () and Michael Grätzel ()
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Shuai You: Huazhong University of Science and Technology
Felix T. Eickemeyer: École Polytechnique Fédérale de Lausanne (EPFL)
Jing Gao: École Polytechnique Fédérale de Lausanne (EPFL)
Jun-Ho Yum: École Polytechnique Fédérale de Lausanne (EPFL)
Xin Zheng: Huazhong University of Science and Technology
Dan Ren: École Polytechnique Fédérale de Lausanne (EPFL)
Meng Xia: École Polytechnique Fédérale de Lausanne (EPFL)
Rui Guo: Huazhong University of Science and Technology
Yaoguang Rong: Huazhong University of Science and Technology
Shaik M. Zakeeruddin: École Polytechnique Fédérale de Lausanne (EPFL)
Kevin Sivula: École Polytechnique Fédérale de Lausanne (EPFL)
Jiang Tang: Huazhong University of Science and Technology
Zhongjin Shen: École Polytechnique Fédérale de Lausanne (EPFL)
Xiong Li: Huazhong University of Science and Technology
Michael Grätzel: École Polytechnique Fédérale de Lausanne (EPFL)

Nature Energy, 2023, vol. 8, issue 5, 515-525

Abstract: Abstract Perovskite solar cells have reached a power conversion efficiency over 25%, and the engineering of the interface between the perovskite and hole transport layer (HTL) has been crucial to achieve high performance. Here we design a bifunctional molecule CBz-PAI with carbazole-triphenylamine and phenylammonium iodide units to passivate defects at the perovskite/HTL interface. Owing to a favourable energy level alignment with the perovskite, the CBz-PAI acts as a hole shuttle between the perovskite layer and the HTL. This minimizes the difference between the quasi-Fermi level splitting of the perovskite, or ‘internal’ Voc, and the external device Voc, thus reducing voltage losses. As a result, solar cells incorporating CBz-PAI reach a stabilized power conversion efficiency of 24.7% and maintain 92.3% of the initial efficiency after 1,000 h under damp heat test (85 °C and 85% relative humidity) and 94.6% after 1,100 h under maximum power point-tracking conditions.

Date: 2023
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DOI: 10.1038/s41560-023-01249-0

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