Matches in SemOpenAlex for { <https://semopenalex.org/work/W3099999417> ?p ?o ?g. }
- W3099999417 abstract "The (001) surface of the emerging photovoltaic material cesium lead triiodide (CsPbI3 ) is studied. Using first-principles methods, we investigate the atomic and electronic structure of cubic ({alpha}) and orthorhombic ({gamma}) CsPbI3 . For both phases, we find that CsI-termination is more stable than PbI2-termination. For the CsI-terminated surface, we then compute and analyse the surface phase diagram. We observe that surfaces with added or removed units of nonpolar CsI and PbI2 are most stable. The corresponding band structures reveal that the {alpha} phase exhibits surface states that derive from the conduction band. The surface reconstructions do not introduce new states in the band gap of CsPbI3, but for the {alpha} phase we find additional surface states at the conduction band edge." @default.
- W3099999417 created "2020-11-23" @default.
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- W3099999417 date "2021-02-19" @default.
- W3099999417 modified "2023-10-13" @default.
- W3099999417 title "Atomic and electronic structure of cesium lead triiodide surfaces" @default.
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- W3099999417 cites W2030761953 @default.
- W3099999417 cites W2042638609 @default.
- W3099999417 cites W2054093403 @default.
- W3099999417 cites W2061216275 @default.
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- W3099999417 cites W2127722396 @default.
- W3099999417 cites W2129970907 @default.
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- W3099999417 doi "https://doi.org/10.1063/5.0035448" @default.
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