A comparative DFT study of the adsorption of H2O molecules at Bi, Hg, and Ga surfaces

Article ID	Journal	Published Year	Pages	File Type
5422633	Surface Science	2013	9 Pages	PDF

Abstract

âº Adsorption of water molecules is investigated using the cluster model of a metal electrode. âº The Ga surface is argued to be more hydrophilic than Bi(111) and Hg surfaces. âº H-bonding between water molecules in the adsorption layer plays an important role.

Keywords

Hydrophilicity Bismuth Water adsorption Mercury Electric double layer Cluster model Density functional theory Gallium

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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A comparative DFT study of the adsorption of H2O molecules at Bi, Hg, and Ga surfaces

Authors

Vladislav IvaniÅ¡tÅ¡ev, Renat R. Nazmutdinov, Enn Lust,