info:eu-repo/semantics/article
The initial stage of OH adsorption on Ni(111)
Fecha
2019-01Registro en:
Juarez, Fernanda; Salmazo, Debora; Savinova, Elena R.; Quaino, Paola Monica; Belletti, Gustavo Daniel; et al.; The initial stage of OH adsorption on Ni(111); Elsevier Science Sa; Journal of Electroanalytical Chemistry; 832; 1-2019; 137-141
1572-6657
CONICET Digital
CONICET
Autor
Juarez, Fernanda
Salmazo, Debora
Savinova, Elena R.
Quaino, Paola Monica
Belletti, Gustavo Daniel
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
Resumen
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).