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Metal intercalation-induced selective adatom mass transport on graphene

TitleMetal intercalation-induced selective adatom mass transport on graphene
Publication TypeJournal Article
Year of Publication2016
AuthorsLiu, XJ, Wang, CZ, Hupalo, M, Lin, HQ, Ho, KM, Thiel, PA, Tringides, MC
JournalNano Research
Date Published05
Type of ArticleArticle
ISBN Number1998-0124
Accession NumberWOS:000375624400020
Keywordsadsorption, augmented-wave method, basis-set, chemistry, electrostatic potential, first-principle calculation, Graphene, growth-morphology, initio, intercalation, Materials Science, physics, selective adsorption, Technology - Other Topics, total-energy calculations

Recent experiments indicate that metal intercalation is a very effective method to manipulate the graphene-adatom interaction and control metal nanostructure formation on graphene. A key question is mass transport, i.e., how atoms deposited uniformly on graphene populate different areas depending on the local intercalation. Using first-principles calculations, we show that partially intercalated graphene, with a mixture of intercalated and pristine areas, can induce an alternating electric field because of the spatial variations in electron doping, and thus, an oscillatory electrostatic potential. This alternating field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport and consequent nucleation, on either the intercalated or pristine areas, depending on the charge state of the adatoms.

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Surface Structures

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Exploratory Theory

Short TitleNano Res.
Alternate JournalNano Res.