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• W3108075863 endingPage "200723" @default.
• W3108075863 startingPage "200723" @default.
• W3108075863 abstract "The essential properties of monolayer silicene greatly enriched by boron substitutions are thoroughly explored through first-principles calculations. Delicate analyses are conducted on the highly non-uniform Moire superlattices, atom-dominated band structures, charge density distributions and atom- and orbital-decomposed van Hove singularities. The hybridized 2 p z –3 p z and [2s, 2 p x , 2 p y ]–[3s, 3 p x , 3 p y ] bondings, with orthogonal relations, are obtained from the developed theoretical framework. The red-shifted Fermi level and the modified Dirac cones/ π bands/ σ bands are clearly identified under various concentrations and configurations of boron-guest atoms. Our results demonstrate that the charge transfer leads to the non-uniform chemical environment that creates diverse electronic properties." @default.
• W3108075863 created "2020-12-07" @default.
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• W3108075863 creator A5026780398 @default.
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• W3108075863 creator A5052074963 @default.
• W3108075863 date "2020-12-01" @default.
• W3108075863 modified "2023-09-23" @default.
• W3108075863 title "Rich <i>p</i> -type-doping phenomena in boron-substituted silicene systems" @default.
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• W3108075863 doi "https://doi.org/10.1098/rsos.200723" @default.
• W3108075863 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7813228" @default.
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• W3108075863 hasPublicationYear "2020" @default.
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