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- W4366405455 abstract "Aliovalent substitution of the B component in ABX3 metal halides has often been proposed to modify the band gap and thus the photovoltaic properties, but details about the resulting structure have remained largely unknown. Here, we examine these effects in Bi-substituted CsSnBr3. Powder X-ray diffraction (XRD) and solid-state 119Sn, 133Cs and 209Bi nuclear magnetic resonance (NMR) spectroscopy were carried out to infer how Bi substitution changes the structure of these compounds. The cubic perovskite structure is preserved upon Bi-substitution, but with disorder in the B site occurring at the atomic level. Bi atoms are randomly distributed as they substitute for Sn atoms with no evidence of Bi segregation. The absorption edge in the optical spectra shifts from 1.8 to 1.2 eV upon Bi-substitution, maintaining a direct band gap according to electronic structure calculations. It is shown that Bi-substitution improves resistance to degradation by inhibiting the oxidation of Sn." @default.
- W4366405455 created "2023-04-21" @default.
- W4366405455 creator A5018432146 @default.
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- W4366405455 creator A5067189248 @default.
- W4366405455 creator A5070307651 @default.
- W4366405455 creator A5074696645 @default.
- W4366405455 date "2023-04-19" @default.
- W4366405455 modified "2023-10-16" @default.
- W4366405455 title "Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3" @default.
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