Efficient and Stable Perovskite Solar Cells with a Multifunctional Spiro‐Based Hole Transport Material

Xuepeng Liu; Xianfu Zhang; Ying Zhou; Weiqing Dai; Jianlin Chen; Olga A. Syzgantseva; Maria A. Syzgantseva; Botong Li; Rahim Ghadari; Mingyuan Han; Weilun Du; Zhipeng Shao; Qian Wang; Songyuan Dai; Mohammad Khaja Nazeeruddin; Yong Ding

doi:10.1002/adfm.202415179

journal article·2025-02Open access

Efficient and Stable Perovskite Solar Cells with a Multifunctional Spiro‐Based Hole Transport Material

Xuepeng Liu, Xianfu Zhang, Ying Zhou, Weiqing Dai, Jianlin Chen, Olga A. Syzgantseva, Maria A. Syzgantseva, Botong Li, Rahim Ghadari, Mingyuan Han, Weilun Du, Zhipeng Shao, Qian Wang, Songyuan Dai, Mohammad Khaja Nazeeruddin, Yong Ding

Advanced Functional Materials· Volume 35· Issue 6

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Abstract

Abstract The widely used spiro‐OMeTAD exhibits moderate interaction with the perovskite layer, which does not decrease the defect on the perovskite surface, thus limiting the photoelectric performance of perovskite solar cells. In this work, the spiro‐OMeTAD structure is functionalized with chlorine (Cl), resulting in a new material labeled spiro‐mCl, which interacts more effectively with the perovskite and passivating interface defects. In addition, the strong electronegativity of Cl lowers the Highest Occupied Molecular Orbitals (HOMO) energy level of spiro‐mCl, resulting in a better match with the valence band of perovskite. Additionally, the asymmetry introduced by Cl enhances the hole mobility and increases the glass transition temperature of spiro‐mCl. As a result, the device incorporating spiro‐mCl achieved an open‐circuit voltage of 1.16 V and a remarkable power conversion efficiency of 25.26% (certified at 24.88%), marking it as one of the highest‐performing spirobifluorene‐based HTMs in PSCs. Importantly, this device also demonstrated significantly improved operational stability compared to the one utilizing spiro‐OMeTAD.

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Research context

Ceramics & glasses Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Conducting polymers and applications · Chalcogenide Semiconductor Thin Films

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Beijing Key Laboratory of Novel Thin‐Film Solar Cells School of New Energy North China Electric Power University Beijing 102206 China

Institut des Sciences et Ingénierie Chimiques Ecole Polytechnique Fédérale de Lausanne (EPFL) Lausanne CH‐1015 Switzerland

Department of Chemistry Lomonosov Moscow State University Moscow 119991 Russia

Department of Physics Mendeleev University of Chemical Technology Moscow 125047 Russia

Computational Chemistry Laboratory Department of Organic and Biochemistry Faculty of Chemistry University of Tabriz Tabriz 5166616471 Iran

Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences Qingdao 266101 China

Institute for Advanced Materials and Technology University of Science and Technology Beijing Beijing 100083 China

Funding

National Natural Science Foundation of China · National Key Research and Development Program of China · Higher Education Discipline Innovation Project

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