Hydronium adsorption on OOH precovered Pt(111) surface: effects of electrode potential.
J Nanosci Nanotechnol
; 11(4): 2983-9, 2011 Apr.
Article
en En
| MEDLINE
| ID: mdl-21776665
ABSTRACT
Using the Density Functional Theory-based total energy calculations, the hydronium adsorption on the OOH precovered Pt(111) surface is studied. The electrode potential is modeled by varying the electron affinity of the reduction center [OOH + H3O(H2O)]+. Two possible structures of this reduction center on the Pt surface are HOOH +2H2O and 2(OH)+2H2O. Evidently, the dissociation of HOOH into 2(OH) can be accomplished by changing the electrode potential to the higher value by 0.16 V. The activation energy for the dissociation is approximately 0.1 eV. The optimized structures are also obtained.
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Bases de datos:
MEDLINE
Asunto principal:
Compuestos Onio
/
Platino (Metal)
/
Electrodos
/
Modelos Químicos
Idioma:
En
Revista:
J Nanosci Nanotechnol
Año:
2011
Tipo del documento:
Article
País de afiliación:
Japón