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- W2023531377 abstract "The structural and electronic properties of fully hydrogenated SiC graphane-like nano-structures have been investigated. The objective of this study is to underscore the relative stability of different conformers of hydrogenated SiC sheet. All calculations are carried out using plane wave based pseudo-potential approach under the density functional theory. The results reveal that the fully hydrogenated SiC sheet forms five stable isomers, and the chair conformer is most stable. Further study through molecular dynamic simulation strategy demonstrates that even at room temperature the chair conformer remains stable." @default.
- W2023531377 created "2016-06-24" @default.
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- W2023531377 date "2013-08-01" @default.
- W2023531377 modified "2023-09-26" @default.
- W2023531377 title "Conformers of hydrogenated SiC honeycomb structure: A first principles study" @default.
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- W2023531377 doi "https://doi.org/10.1063/1.4820389" @default.
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