期刊
JOURNAL OF CHEMICAL PHYSICS
卷 138, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4773583
关键词
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资金
- Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under the Department of Energy [DE-AC02-05CH11231]
- Molecular Foundry
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, Cu-0, 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 Cu2+. A novel method to reference x-ray absorption energies based on the energies of isolated atoms is presented. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4773583]
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