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- W2027330843 abstract "Using first-principles methods we performed a theoretical study of carbon clusters in silicon carbide nanowires. We examined small clusters with carbon interstitials and antisites in hydrogen-passivated SiC nanowires growth along the [100] and [111] directions. The formation energies of these clusters were calculated as a function of the carbon concentration. We verified that the energetic stability of the carbon defects in SiC nanowires depends strongly on the composition of the nanowire surface: the energetically most favorable configuration in carbon-coated [100] SiC nanowire is not expected to occur in silicon-coated [100] SiC nanowire. The binding energies of some aggregates were also obtained, and they indicate that the formation of carbon clusters in SiC nanowires is energetically favored." @default.
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- W2027330843 date "2011-01-01" @default.
- W2027330843 modified "2023-10-18" @default.
- W2027330843 title "Theoretical Study of Carbon Clusters in Silicon Carbide Nanowires" @default.
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- W2027330843 doi "https://doi.org/10.1155/2011/203423" @default.
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