Molecular engineering of inorganic halide perovskites and HTMs for photovoltaic applications
Faezeh Pakravesh,
Mohammad Izadyar
Abstract:A comprehensive study was performed for the design of ABX3 perovskites, (A = Li, K, Na, B = Ge, Sn, Pb, X = F, Cl, Br, I) and organic hole transfer materials, HTMs (Fu‐2a, Fu‐2b, Fu‐2c, and Dm‐Q) for efficient perovskite solar cells (PSCs) through quantum chemistry calculations. Photovoltaic characteristics of the investigated perovskites are strongly affected by the halide anions. The results reveal that reducing the exciton binding energy of perovskites enhances the rate of the formation/dissociation of hole… Show more
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