Stability and Hydrogen Affinity of Graphite-Supported Wires of Cu, Ag, Au, Ni, Pd, and Pt
| Autor: | Paola Quaino, Germán Soldano, Wolfgang Schmickler, Elizabeth Santos |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Materials science
Hydrogen Nanowire chemistry.chemical_element Coinage metals Catalysis law.invention Metal Metal Nanowires Adsorption law Graphite Physical and Theoretical Chemistry Graphene Otras Ciencias Químicas Metallurgy Ciencias Químicas Surfaces Coatings and Films Electronic Optical and Magnetic Materials General Energy chemistry visual_art visual_art.visual_art_medium Physical chemistry CIENCIAS NATURALES Y EXACTAS |
| Zdroj: | The Journal of Physical Chemistry C. 117:19239-19244 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/jp406361s |
| Popis: | The stability of Cu, Ag, Au, Ni, Pd, and Pt nanowires supported on graphite steps is investigated by density functional theory. Two step borders are examined: armchair and zigzag. It was found that the Ni, Pd, and Pt wires are more stable than coinage metal ones and that the zigzag configuration is the most energetically favored. The adsorption of hydrogen on such systems is also studied. In Ni, Pd, and Pt graphite-supported wires the reaction occurs on the wire, while in coinage metal wires hydrogen adsorbs directly on graphite steps, breaking the bond between wire and step. Our results suggest that, in early stages of wire formation, hydrogen adsorption could induce the desorption of coinage metals from graphite. The catalytic properties for hydrogen adsorption on graphite-supported and freestanding nanowires are also compared. Fil: Soldano, Germán. Universidad Nacional de Córdoba. Facultad de Cs.químicas. Departamento de Química Teórica y Computacional; Argentina. Institute Of Theoretical Chemistry; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Institute Of Theoretical Chemistry; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina Fil: Santos, Elizabeth del Carmen. Institute Of Theoretical Chemistry; Alemania. Universidad de Cordoba. Fac. de Matemática Astronomía y Física; España. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina Fil: Schmickler, Wolfgang. Institute Of Theoretical Chemistry; Alemania |
| Databáze: | OpenAIRE |
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