Title Efficiency versus stability of perovskite solar cells by energy level tuning of the hole selective layer
Authors Alonso, Javier E.S ; Marcinskas, Mantas ; Senno, Maximiliano ; Cortés-Villena, Alejandro ; Zanoni, Kassio P.S ; Choi, Yunseong ; Musteikis, Skirmantas ; Galian, Raquel E ; Pérez-Prieto, Julia ; Calbo, Joaquín ; Getautis, Vytautas ; Malinauskas, Tadas ; Bolink, Henk J
DOI 10.1039/d6el00167j
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Is Part of EES Solar.. Cambridge : Royal Society of Chemistry. 2026, Early Access, p. 1-16.. ISSN 3033-4063
Abstract [eng] Self-assembled monolayers (SAMs) based on carbazole derivatives have emerged as highly effective hole-selective contacts for perovskite solar cells (PSCs), yet their interfacial energetics and long-term stability remain insufficiently understood, especially in the context of vapor-deposited PSCs. Here, we investigate the impact of functionalization and controlled self-co-assembly of [2-(9H-carbazol-9-yl)ethyl]phosphonic acid (2PACz)-based SAMs (in particular methoxy, MeO-2PACz, and iodine functionalized, I-2PACz) on the interfacial properties, exciton dynamics, and operational stability of co-evaporated mixed cation hybrid FA1−xMAxPbI3 PSCs. The presence of iodine leads to a deeper interfacial energy level than the less polar methoxy group, enhancing lattice matching and binding strength to the perovskite surface at the expense of introducing a large energetic offset that suppresses charge extraction and decreases device efficiency. Time-resolved photoluminescence reveals that iodine interfaces promote long-lived charge carriers, which, due to the energetic offset, are poorly extracted leading open-circuit voltage losses. In contrast, co-assembling I-2PACz with MeO-2PACz can balance the energetic alignment and interfacial passivation, enabling power conversion efficiencies up to 23.4% while significantly improving operational stability under combined illumination and thermal stress. These results establish molecular self-co-assembly as a powerful strategy to decouple efficiency and stability in vapor-deposited perovskite photovoltaics.
Published Cambridge : Royal Society of Chemistry
Type Journal article
Language English
Publication date 2026
CC license CC license description