Molecular Polarization‐Driven Synergistic Interface Engineering for High‐Performance Perovskite Solar Cells
Abstract
ABSTRACT The performance of inverted perovskite solar cells (PSCs) is often impeded by severe non‐radiative recombination and carrier transport losses at the self‐assembled monolayer (SAM)/perovskite interface, arising from inhomogeneous SAM distribution and weak interfacial bonding with the perovskite layer. To address these challenges, we introduce a universal synergistic interface engineering strategy employing 2‐aminopyrimidine‐4‐carboxylic acid (m‐APCA), a meta‐substituted molecule featuring asymmetric bifunctional groups on its pyrimidine ring. These groups induce substantial molecular polarization, amplifying the dipole moment and reinforcing intermolecular π–π interactions with SAMs, thereby mitigating SAM aggregation and ensuring uniform substrate coverage. Concurrently, the strong dipole field and bifunctional chemistry of m‐APCA enable robust chemical bonding with the perovskite layer, acting as nucleation sites that regulate grain growth and passivate buried interfacial defects. This dual‐action approach reduces interfacial energy barriers and enhances hole transport efficiency, achieving very high efficiencies of 26.77% (certified at 26.71%), 26.08%, and 24.17% for small‐area (normal bandgap), centimeter‐scale (normal bandgap), and wide‐bandgap PSCs, respectively. Notably, optimized PSCs demonstrate exceptional operational stability, retaining 96% of initial efficiency after 1200 h of continuous maximum power point tracking.
Article Details
Authors (21)
Yanbo Wang
Department of Materials Science and Engineering, City University of Hong Kong
Yitong Liu
Peking-Tsinghua Center for Life Science, Academy for Advanced Interdisciplinary Studies, Peking University
Yi Ji
State Key Laboratory of Catalysis
Gaoyuan Yang
Xin Li
Xueqi Wu
Yige Peng
State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China
Hailong Huang
Zewu Feng
State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China
Yansen Guo
State Key Laboratory of Bioinspired Interfacial Materials Science Institute of Functional Nano & Soft Materials (FUNSOM) Soochow University Suzhou China
Huanyu Zhang
Chenghao Ge
Shuilong Kang
State Key Laboratory of Bioinspired Interfacial Materials Science, Institute of Functional Nano & Soft Materials (FUNSOM)
Yang Zhang
Yurou Zhang
Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering
Chaopeng Huang
Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou China
Xinhai Zhao
Jingsong Sun
Zhejiang Baima Lake Laboratory Co., Ltd. Hangzhou China
Youyong Li
Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices
Xiao‐Hong Zhang
Institute of Functional Nano & Soft Materials (FUNSOM) Joint International Research Laboratory of Carbon‐Based Functional Materials and Devices Soochow University Suzhou Jiangsu P. R. China
Jun Peng
State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry