Oscillatory electrostatic potential on graphene induced by group IV element decoration

SCIENTIFIC REPORTS(2017)

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摘要
The structures and electronic properties of partial C, Si and Ge decorated graphene were investigated by first-principles calculations. The calculations show that the interaction between graphene and the decoration patches is weak and the semiconductor patches act as agents for weak electron doping without much disturbing graphene electronic π-bands. Redistribution of electrons due to the partial decoration causes the electrostatic potential lower in the decorated graphene areas, thus induced an electric field across the boundary between the decorated and non-decorated domains. Such an alternating electric field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport.
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关键词
Density functional theory,Electronic properties and devices,Electronic properties and materials,Electronic structure,Science,Humanities and Social Sciences,multidisciplinary
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