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Theoretical end-cap tailoring of tripodal triazatruxene-based hole transport materials toward enhanced perovskite solar cell performance

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This study reports the design and computational evaluation of five tripodal triazatruxene-based hole-transporting materials (HTMs), M1-M5, derived by integrating a tripodal-triazatruxene scaffold with five different terminal acceptors. Density functional theor... ...