The initial stage of OH adsorption on Ni(111)

F Juarez and D Salmazo and ER Savinova and P Quaino and G Belletti and E Santos and W Schmickler, JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 832, 137-141 (2019).

DOI: 10.1016/j.jelechem.2018.10.047

The adsorption of OH on Ni(111) has been investigated by a combination of density functional theory and classical molecular dynamics. At low coverage, the adsorption is strong, the adsorbate carries almost unit negative charge, and interacts strongly with water. Because of their high charges, adsorbed OH species repel each other, and adsorption becomes less favorable with increasing coverage. Adsorption on Ni(111) is contrasted with that on Pt(111).

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