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A narrow bandgap and high optical absorption are significantly important for the development of ferroelectric photovoltaic (FE‐PV). Nine lateral interface structures, which consist of Sn‐doped BaO (BSO) and BaTiO3 (BTO), are constructed in this work. The bandgap of BSO/BTO decreases to 1.20 eV from 2.46 eV of BTO based on first principles calculations. The electronic structures show that the Sn doping...
A large bandgap significantly suppress the development of ferroelectric photovoltaic (FE‐PV). The bandgap of BaTiO3 decreases to 1.49 eV from 2.46 eV by the formation of the lateral interface structure with BaO based on first principles calculations, which is beneficial to enhance the visible‐light adsorption of FE‐PV materials. The electronic structures of BaO/BaTiO3 show that the lateral interface...
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