English

Graphene wetting by methanol or water

Mesoscale and Nanoscale Physics 2015-11-30 v1

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.

Keywords

Cite

@article{arxiv.1511.08669,
  title  = {Graphene wetting by methanol or water},
  author = {A. G. Barylka and R. M. Balabai},
  journal= {arXiv preprint arXiv:1511.08669},
  year   = {2015}
}

Comments

11 figures

R2 v1 2026-06-22T11:55:32.965Z