Title
Water on graphene: hydrophobicity and dipole moment using density functional theoryWater on graphene: hydrophobicity and dipole moment using density functional theory
Author
Faculty/Department
Faculty of Sciences. Physics
Research group
Condensed Matter Theory
Publication type
article
Publication
Lancaster, Pa,
Subject
Physics
Source (journal)
Physical review : B : solid state. - Lancaster, Pa, 1970 - 1978
Volume/pages
79(2009):23, p. 235440,1-235440,5
ISSN
0556-2805
ISI
000267699500147
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/c4b43b/0f42d1d9.pdf
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