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Evidence for spontaneous CO2 activation on cobalt surfaces

Abstract:

Density functional calculations carried out for the interaction of CO<inf>2</inf> with the low index faces of Co(fcc) using periodic slab models predict that the interaction is structure sensitive and that the molecular structure of CO<inf>2</inf> on the Co(1 0 0) and Co(1 1 0) faces is highly distorted and reminiscent of CO<inf>2</inf><sup>-</sup>. This is interpreted as spontaneous activation of the adsorbed molecule. These results are at variance for the interaction of CO<inf>2</inf> on most metal surfaces, strongly suggest that Co(1 0 0) and Co(1 1 0) oriented surfaces of the Co(fcc) nanoparticles in supported catalysts are likely to trigger CO<inf>2</inf> activation and hence to ease CO<inf>2</inf> dissociation; in agreement with recent experimental observations. © 2008 Elsevier B.V. All rights reserved.

Año de publicación:

2008

Keywords:

    Fuente:

    scopusscopus
    googlegoogle

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Catálisis
    • Catálisis
    • Ciencia de materiales

    Áreas temáticas de Dewey:

    • Química física
    • Química inorgánica
    Procesado con IAProcesado con IA

    Objetivos de Desarrollo Sostenible:

    • ODS 9: Industria, innovación e infraestructura
    • ODS 13: Acción por el clima
    • ODS 7: Energía asequible y no contaminante
    Procesado con IAProcesado con IA

    Contribuidores:

    Fierro J.L.G.Fierro J.L.G.
    Silvia González PérezSilvia González Pérez
    de la Peña O'Shea V.de la Peña O'Shea V.
    Illas F.Illas F.