Water on graphene: Hydrophobicity and dipole moment using density functional theory

O. Leenaerts, B. Partoens, and F. M. Peeters
Phys. Rev. B 79, 235440 – Published 29 June 2009

Abstract

We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.

  • Figure
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  • Received 24 March 2009

DOI:https://doi.org/10.1103/PhysRevB.79.235440

©2009 American Physical Society

Authors & Affiliations

O. Leenaerts1,*, B. Partoens1,†, and F. M. Peeters1,2,‡

  • 1Departement Fysica, Universiteit Antwerpen, Groenenborgerlaan 171, B-2020 Antwerpen, Belgium
  • 2Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, Campus do Pici, 60455-760 Fortaleza, CE, Brazil

  • *ortwin.leenaerts@ua.ac.be
  • bart.partoens@ua.ac.be
  • francois.peeters@ua.ac.be

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Issue

Vol. 79, Iss. 23 — 15 June 2009

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