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• W2103723361 abstract "Abstract We employ first-principles density functional theory calculations to study the surface reconstruction, energetic stability, and electronic structure of diamond C(331) surface. Spontaneous formation of graphene-like stripes on the reconstructed surface is found to occur as the surface terrace C atoms transform from sp 3 to sp 2 hybridization upon structural relaxation. The comparison of the calculated absolute surface energies of C(331), C(111), and C(110) surfaces demonstrates the energetic stability of the graphitic-like C(331) surface. Local density of electronic states analysis reveals the occurrence of localized electronic states near the Fermi level, which may have a significant impact on the surface conductivity." @default.
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• W2103723361 date "2012-08-16" @default.
• W2103723361 modified "2023-09-23" @default.
• W2103723361 title "Spontaneous formation of graphene-like stripes on high-index diamond C(331) surface" @default.
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• W2103723361 doi "https://doi.org/10.1186/1556-276x-7-460" @default.
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