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Catalytic properties of Au electrodes modified by an underlayer of Pd
- Source :
- Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, Surface Science and Electrochemistry-20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩, Surface Science, Surface Science, Elsevier, 2015, Surface Science and Electrochemistry-20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩
- Publication Year :
- 2015
- Publisher :
- HAL CCSD, 2015.
-
Abstract
- Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface of Au(111). First, we investigate the stability of this system, and then its interaction with hydrogen. We analyze in detail the energetics and the electronic interactions for the Volmer step of the hydrogen evolution reaction (HER), and the further absorption below the surface layer of gold. We combine Density Functional Theory based on computational techniques with the theory of electrocatalysis. Fil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Soldano, Germán. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Guesmi, Hazar. Institut Charles Gerhardt Montpellier; Francia Fil: Tielens, Frederik. Universite Pierre et Marie Curie; Francia Fil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
- Subjects :
- Hydrogen
Inorganic chemistry
ELECTRONIC STRUCTURE
chemistry.chemical_element
Electrocatalyst
7. Clean energy
Catalysis
Monolayer
Materials Chemistry
Reactivity (chemistry)
[CHIM.COOR]Chemical Sciences/Coordination chemistry
Surface layer
DENSITY FUNCTIONAL THEORY
Bimetallic strip
GOLD-PALLADIUM ALLOYS
Otras Ciencias Químicas
Ciencias Químicas
Surfaces and Interfaces
Condensed Matter Physics
Surfaces, Coatings and Films
HYDROGEN ADSORPTION-ABSORPTION-STORAGE
chemistry
Chemical engineering
ELECTROCATALYSIS
Density functional theory
CIENCIAS NATURALES Y EXACTAS
Subjects
Details
- Language :
- English
- ISSN :
- 00396028 and 18792758
- Database :
- OpenAIRE
- Journal :
- Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, Surface Science and Electrochemistry-20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩, Surface Science, Surface Science, Elsevier, 2015, Surface Science and Electrochemistry-20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩
- Accession number :
- edsair.doi.dedup.....90ba5c83d76c93b54ffcdf8c14e0b625