INVESTIGADORES
QUAINO Paola Monica
artículos
Título:
The initial stage of OH adsorption on Ni(111)
Autor/es:
JUAREZ, FERNANDA; SALMAZO, DEBORA; SAVINOVA, ELENA R.; QUAINO, PAOLA; BELLETTI, GUSTAVO; SANTOS, ELIZABETH; SCHMICKLER, WOLFGANG
Revista:
JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print)
Editorial:
ELSEVIER SCIENCE SA
Referencias:
Año: 2019 vol. 832 p. 137 - 141
ISSN:
1572-6657
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).
