Dopant-free crystalline silicon (c-Si) solar cells face critical challenges in hole transport layer (HTL) design, where conventional molybdenum oxide (MoO x ) contacts suffer from interface oxidation and insufficient electron blocking. While self-assembled monolayers (SAMs) demonstrate potential in organic photovoltaics, their application in silicon-based HTLs remains unexplored. In this study, a novel organic SAM (2PACz) is proposed, where phosphonic acid (PA) groups form strong coordination bonds with MoO x as HTL, aiming to improve cell performance via both chemical and field-effect passivation. The incorporation of 2PACz raises the work function of MoO x by 0.66 eV and significantly improves the minority carrier lifetime, which, in turn increases the built-in potential ( V bi ) to 1.06 V. These improvements contribute to a boost in both open-circuit voltage ( V oc ) and short-circuit current ( J sc ). Finally, the solar cell with 2PACz/MoO x -Au NPs-MoO x (MAM) stack achieves a V oc of 753.3 mV, a J sc of 40.10 mA cm − 2 , a fill factor ( FF ) of 79.12%, and a conversion efficiency ( E ff ) of 23.90%. The application of 2PACz in the HTL significantly enhances solar cell performance, offering a novel strategy for interface optimization in c-Si solar cells and other optoelectronic devices.
The commercialization of perovskite photovoltaics faces significant hurdles due to device degradation under environmental stressors, such as illumination, humidity and heat, which represents a core challenge for industrial applications. Here we present a conformational engineering strategy targeting the buried interface of perovskite solar cells and based on the structural evolution of additives—from 1,1-diphenylethylene to 1-octyl-2-(1-phenylvinyl)benzene and diethylamino hydroxybenzoyl hexyl benzoate. We decouple the contributions of the additives, including ultraviolet shielding, strain regulation and chemical passivation. In conjunction with in situ characterization, we reveal that dynamic interfacial strain regulation plays a major role in improving device stability during light–dark cycling. Our devices achieve power conversion efficiencies of 26.47% and 22.67%, for active areas of 0.09 cm 2 and 20.5 cm 2 , respectively. Under maximum power point tracking, small-area devices maintain 96.2% of their initial power conversion efficiency after 1,132 h of testing in ISOS-L-1I (continuous illumination) and 88.8% after 348 h in ISOS-LC-1 (12-h day–night cycling). This research establishes an innovative design paradigm for stable and efficient perovskite solar cells through a multifunctional strategy driven by conformational engineering.
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