Publication date: 5th November 2025
Interface engineering plays a decisive role in enhancing charge extraction and reducing energy losses in wide-bandgap (WBG) perovskite solar cells, which are key to high-performance indoor photovoltaics. In this study, we design and investigate a new series of carbazole-derived self-assembled monolayers (SAMs) employing a short n-propyl (C3) alkyl linker between the carbazole core and the phosphonic acid anchoring group. Three derivatives—3C-H, 3C-OMe, and 3C-Ph—were synthesized to explore the effects of terminal substitution (hydrogen, methoxy, and phenyl) on molecular dipole moment, interfacial energetics, and photovoltaic performance. These SAMs act as independent hole-selective layers on NiOx-coated ITO substrates in inverted (p–i–n) WBG perovskite solar cells. Consequently, the optimized WBG perovskite device achieved an impressive open-circuit voltage (VOC) of 1.23 V, short-circuit current density (JSC) of 21.53 mA cm⁻², and a power conversion efficiency (PCE) of 21.59% under AM 1.5 G illumination. Under indoor LED light (3000 K, 1000 lux), the same device reached a record indoor efficiency of 41.77%, surpassing previously reported carbazole-based SAM-modified WBG perovskite cells.
This work provides critical insight into how subtle molecular-structure variations in carbazole-derived SAMs can tune interfacial energetics and device performance. The results establish C3-linked phenyl-carbazole SAMs as a robust, solution-processable strategy for realizing highly efficient and stable WBG perovskite indoor photovoltaics.
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