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Graphene wetting by methanol or water

Authors
  • Barylka, A. G.
  • Balabai, R. M.
Type
Published Article
Publication Date
Nov 27, 2015
Submission Date
Nov 27, 2015
Identifiers
arXiv ID: 1511.08669
Source
arXiv
License
Yellow
External links

Abstract

The spatial distributions of the valence-electron density and the total energy reliefs for water (or methanol) migration on the free surface of graphene are obtained, by using the electron density functional and ab initio pseudopotential methods. The hovering of molecule over the graphene plane is found to locally change plane's conductivity. The estimate of energy costs during the propagation of adsorbent molecules over the graphene surface testifies to the graphene hydrophobicity.

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