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Oscillatory electrostatic potential on graphene induced by group IV element decoration

TitleOscillatory electrostatic potential on graphene induced by group IV element decoration
Publication TypeJournal Article
Year of Publication2017
AuthorsDu, CY, Yu, LW, Liu, XJ, Liu, LL, Wang, CZ
JournalScientific Reports
Volume7
Pagination9
Date Published10
Type of ArticleArticle
ISBN Number2045-2322
Accession NumberWOS:000412956900042
Keywordsaugmented-wave method, basis-set, density, intercalation, metals, Technology - Other Topics, total-energy calculations
Abstract

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 p-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.

DOI10.1038/s41598-017-13603-w
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Photonics

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Exploratory Theory