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Understanding charge transfer in donor-acceptor/metal systems: A combined theoretical and experimental study

Abstract:

We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor-acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and X-ray photoemission spectroscopy (XPS) measurements of the core-level shifts for three different monolayers adsorbed on a Ag substrate. Specifically, we consider perfluorinated pentacene (PFP), copper phthalocyanine (CuPc), and their 1:1 mixture (PFP+CuPc) adsorbed on Ag(111). © 2012 American Chemical Society.

Año de publicación:

2012

Keywords:

    Fuente:

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    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Ciencia de materiales
    • Química teórica
    • Física

    Áreas temáticas:

    • Química física

    Contribuidores:

    de Oteyza D.G.de Oteyza D.G.
    Ortega J.E.Ortega J.E.
    Rubio A.Rubio A.
    Duncan John MowbrayDuncan John Mowbray
    Rogero C.Rogero C.
    El-Sayed A.El-Sayed A.
    Floreano L.Floreano L.
    Cabellos J.L.Cabellos J.L.
    Goiri E.Goiri E.