2024
DOI: 10.1021/acs.inorgchem.3c03595
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DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Csx(Pb/Sn)yXz Halide Perovskites

Bo Zhang,
Guanghui Lei,
Shuyue You
et al.

Abstract: Employing all-inorganic perovskites as light harvesters has recently drawn increasing attention owing to the strong-bonded inorganic components in the crystal. To achieve the systematic and comprehensive understanding for the structures and properties of Cs x (Pb/Sn) y X z (X = F, Cl, Br, I) perovskites, this work provides the comparison details about crystal structures, optical properties, electronic structures and power conversion efficiency (PCE) of 18 perovskites. The suitable band gaps are detected in Cs… Show more

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