Abstract
Organic-inorganic hybrid halide perovskites have been considered as potential photoconductive materials for photovoltaic applications. Through first-principles calculations, we have investigated the structural stability, electronic and optical properties of GA-doped MAPbI3. Our calculated results reveal that 25% GA doping slightly reduce the structural stability of MAPbI3. The band gap of GA-doped MAPbI3 is increased from 1.49 to 1.60 eV. The optical absorption of GA-doped MAPbI3 is weaken than that of MAPbI3 in the visible light region. Moreover, our calculated results can explain available experiments well. These finding can perovide a light on the development of efficient perovskite solar cells.
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