Influence of water on the surface of graphene
Department of Chemistry, Faculty of Arts and Sciences, Uludag˘ University, 16059 Bursa, Turkey
2 Department of Physics, Faculty of Arts and Sciences, Uludag˘ University, 16059 Bursa, Turkey
3 RD51, CERN
a e-mail: firstname.lastname@example.org
Published online: 21 February 2018
We have studied how water modifies the surface of graphene and in particular how the surface conductivity of graphene is affected. According to the literature, two types of interactions should be distinguished: physical, where a water molecule remains intact and is located at some distance from the mesh, and chemical, where a water molecule is imbricated in the graphene bond structure. We have developed theoretical models for both types of interactions using the density functional theory (DFT) with the B3LYP hybrid functional combined with the 6-31G(d) basis set. Our calculations show that the surface conductivity of graphene is reduced in the presence of water.
© The Authors, published by EDP Sciences, 2018
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