Artículo

The initial stage of OH adsorption on Ni(111)

Juarez, Fernanda; Salmazo, Debora; Savinova, Elena R.; Quaino, Paola MonicaIcon ; Belletti, Gustavo DanielIcon ; Santos, Elizabeth del CarmenIcon ; Schmickler, Wolfgang
Fecha de publicación: 01/2019
Editorial: Elsevier Science Sa
Revista: Journal of Electroanalytical Chemistry
ISSN: 1572-6657
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

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).
Palabras clave: ADSORBATE SOLVATION , FREE ENERGY SURFACE , MOLECULAR DYNAMICS , OH ADSORPTION
 
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/109991
DOI: https://doi.org/10.1016/j.jelechem.2018.10.047
Colecciones
Articulos(IQAL)
Articulos de INSTITUTO DE QUIMICA APLICADA DEL LITORAL
Citación
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
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