4.6 Article

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

Journal

PHYSICAL REVIEW B
Volume 79, Issue 23, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.235440

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Funding

  1. Flemish Science Foundation (FWO-Vl)

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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.

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