Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy
| Autor: | Soeren Porsgaard, Lisandro J. Giovanetti, Flemming Besenbacher, Miquel Salmeron, John T. Newberg, David Prendergast, Elzbieta Pach, Ferenc Borondics, Peng Jiang, Hendrik Bluhm |
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| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: |
AB INITIO CALCULATIONS
Electronic structure Absorption spectroscopy Thin films Analytical chemistry ELECTRONIC STRUCTURE General Physics and Astronomy OXIDATION X-RAY PHOTOELECTRON SPECTRA Química Inorgánica y Nuclear STOICHIOMETRY purl.org/becyt/ford/1 [https] X-ray absorption spectra X-ray photoelectron spectroscopy Oxidation THIN FILMS purl.org/becyt/ford/1.4 [https] X-RAY ABSORPTION SPECTRA DENSITY FUNCTIONAL THEORY Physical and Theoretical Chemistry Thin film X-ray absorption spectroscopy Valence (chemistry) Chemistry Copper compounds X-ray photoelectron spectra Ciencias Químicas Física Química Stoichiometry K-edge Density functional theory Ab initio calculations CIENCIAS NATURALES Y EXACTAS COPPER COMPOUNDS |
| Zdroj: | CONICET Digital (CONICET) Consejo Nacional de Investigaciones Científicas y Técnicas instacron:CONICET SEDICI (UNLP) Universidad Nacional de La Plata instacron:UNLP Jiang, P, Prendergast, D, Borondics, F, Porsgaard, S, Giovanetti, L, Pach, E, Newberg, J, Bluhm, H, Besenbacher, F & Salmeron, M 2013, ' Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy ', Journal of Chemical Physics, vol. 138 . https://doi.org/10.1063/1.4773583 |
| DOI: | 10.1063/1.4773583 |
| Popis: | The electronic structure of Cu2O and CuO thin films grown on Cu(110) was characterized by X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The various oxidation states, Cu0, Cu+, and Cu2+, were unambiguously identified and characterized from their XPS and XAS spectra. We show that a clean and stoichiometric surface of CuO requires special environmental conditions to prevent loss of oxygen and contamination by background water. First-principles density functional theory XAS simulations of the oxygen K edge provide understanding of the core to valence transitions in Cu+ and Cu 2+. A novel method to reference x-ray absorption energies based on the energies of isolated atoms is presented. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas |
| Databáze: | OpenAIRE |
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