Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy
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....
| Autores: | , , , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2013 |
| País: | Argentina |
| Institución: | Universidad Nacional de La Plata |
| Repositorio: | SEDICI (UNLP) |
| Idioma: | inglés |
| OAI Identifier: | oai:sedici.unlp.edu.ar:10915/96803 |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/96803 |
| Access Level: | acceso abierto |
| Palabra clave: | Física Química Ab initio calculations Density functional theory Copper compounds Electronic structure Oxidation Stoichiometry Thin films X-ray absorption spectra X-ray photoelectron spectra |
| Sumario: | 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. |
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