Molecular Engineered Hole-Extraction Materials to Enable Dopant-Free, Efficient p-i-n Perovskite Solar Cells

Abstract

Two hole-extraction materials (HEMs), TPP-OMeTAD and TPP-SMeTAD, have been developed to facilitate the fabrication of efficient p-i-n perovskite solar cells (PVSCs). By replacing the oxygen atom on HEM with sulfur (from TPP-OMeTAD to TPP-SMeTAD), it effectively lowers the highest occupied molecular orbital of the molecule and provides stronger Pb-S interaction with perovskites, leading to efficient charge extraction and surface traps passivation. The TPP-SMeTAD-based PVSCs exhibit both improved photovoltaic performance and reduced hysteresis in p-i-n PVSCs over those based on TPP-OMeTAD. This work not only provides new insights on creating perovskite-HEM heterojunction but also helps in designing new HEM to enable efficient organic–inorganic hybrid PVSCs.

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