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First principles study the effects of alkali metal and chorine adatoms on the opposite surface of graphene

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Abstract Study of the adsorption properties of graphene has great significance for expanding its application. So far, few studies have analyzed the effects of adatoms on opposite sides of graphene.… Click to show full abstract

Abstract Study of the adsorption properties of graphene has great significance for expanding its application. So far, few studies have analyzed the effects of adatoms on opposite sides of graphene. We use density functional theory to report the effects of chlorine and alkali metal adatoms on the other side of graphene. Although there is an obvious charge transfer between the adatom and graphene, the interaction between the adatoms is shielded by the large π bonds of graphene and therefore the effects of the adatom on the other side of graphene are very weak.

Keywords: adatoms opposite; alkali metal; principles study; graphene; study effects; first principles

Journal Title: Chemical Physics Letters
Year Published: 2018

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