Triple‐Functional Hydrazide‐Based Modifier for Self‐Assembled Monolayers/Perovskite to Obtain 26.29%‐Efficiency Inverted MA‐Free Perovskite Solar Cells
Abstract
Abstract Inverted perovskite solar cells (PSCs) face challenges in hole‐transport layer (HTL) uniformity and buried interface defect passivation. To address these issues, we introduce 4‐(methylthio)benzhydrazide (MTBH) as a triple‐functional modifier for self‐assembled monolayers (SAMs)/perovskite to enhance the performance of inverted PSCs. MTBH simultaneously optimizes the [4‐(3,6‐dimethyl‐9H‐carbazol‐9‐yl)butyl]phosphonic acid (Me‐4PACz) SAMs and passivates perovskite defects through ternary synergistic interactions: (1) P═O→S‐C coordination between Me‐4PACz and MTBH improves SAMs ordering and energy‐level alignment; (2) N─H⋯I − hydrogen bonding passivates iodine vacancies; (3) C═O→Pb 2+ coordination repairs undercoordinated lead defects. These interactions regulate perovskite crystallization kinetics, inducing a “fast nucleation‐slow growth” mode that yields high‐quality films with reduced residual stress (18.0 MPa versus Control's 60.1 MPa) and suppressed grain‐boundary defects. Consequently, MTBH‐incorporated devices achieve a champion power conversion efficiency (PCE) of 26.29% (versus 23.62% for control) with a high fill factor (FF: 84.94%) and open‐circuit voltage ( V OC : 1.19 V). The devices also exhibit exceptional stability, retaining 93.76% PCE after 2000 h in ambient air and 98.0% after 470 h of maximum power point tracking.
Article Details
Authors (19)
Hanye Wang
Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory For Advanced Energy Devices Shaanxi Engineering Lab For Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an China
Yong Li
Yan Cai
Dongfang Xu
Junfeng Lin
Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic Solids, Institute of Chemistry
Hui Zhou
Department of Chemistry and Materials
Baihui Wang
Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China
Rui Sun
Yongzhe Li
Hongjie Lei
Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory For Advanced Energy Devices Shaanxi Engineering Lab For Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an China
Zihao Fan
Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China
Yifan Wang
Yiqiao Sun
Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory For Advanced Energy Devices Shaanxi Engineering Lab For Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an China
Yulin Liu
Peiyuan Liu
Junjie Zhang
Hongtao Bian
Key Laboratory of Applied Surface and Colloid Chemistry of Ministry of Education, School of Chemistry and Chemical Engineering, Shaanxi Normal University 2 , Xi’an 710119,
Sujuan Wu
Zhike Liu