Binary hole transport materials blending to linearly tune HOMO level for high efficiency and stable perovskite solar cells

Abstract

To maximize the photovoltaic performance of perovskite solar cells (PVSCs）by developing new hole-transport layer (HTL) materials, the precise tuning of their energy levels especially the highest occupied molecular orbital (HOMO) is highly desirable. Here, a simple binary strategy for the first time is proposed to acquire ideal HOMO level by optimizing the composition of binary blend HTLs including CZ-TA (HOMO = −5.170 eV) and CZ-STA (HOMO = −5.333 eV). By adding 10 wt% CZ-STA, the binary HTM (HOMO = −5.199 eV) based perovskite solar cells achieve a maximum power conversion efficiency of 19.85% (18.32% for CZ-TA). The introducing of S atom in CZ-STA not only downshifts HOMO level but also forms stronger Pb-S interaction with perovskites than Pb-O in CZ-TA, leading to better device performance and reduced hysteresis. Importantly, the un-encapsulated PVSCs using CZ-TA:CZ-STA (90:10, w/w) binary HTL exhibit good environment stability in ambient air, maintaining over 82% of their initial efficiency after 60 days’ storage with a relative humidity around 50%. Therefore, this strategy provides new insights on HTL development to push forward the progress of the emerging PVSCs