Scientific journal "The News of Altai State University". 2013 #1-2(77). Physics.

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1-2(77)

2013

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E.V. Vinokurova, S.A. Beznosyuk, M.S. Zhukovsky

Modeling of Graphene Properties by Van-der-Waals Density Functional Method for NEMS Devices Purposes

The energy and geometric characteristics of graphene, when it interacts with the atoms of transition, noble and elementary metals, were calculated by the Van-der-Waals DF method. Study on the reaction of graphene sheet on contact with various molecular structures was also performed.

Key words: graphene, Van-der-Waals DF method, NEMS.

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