Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy
- Autores
- Jiang, Peng; Prendergast, David; Borondics, Ferenc; Porsgaard, Soeren; Giovanetti, Lisandro Jose; Pach, Elzbieta; Newberg, John; Bluhm, Hendrik; Besenbacher, Flemming; Salmeron, Miquel
- Año de publicación
- 2013
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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.
Fil: Jiang, Peng. Lawrence Berkeley National Laboratory; Estados Unidos
Fil: Prendergast, David. Lawrence Berkeley National Laboratory; Estados Unidos
Fil: Borondics, Ferenc. Lawrence Berkeley National Laboratory; Estados Unidos
Fil: Porsgaard, Soeren. University Aarhus; Dinamarca
Fil: Giovanetti, Lisandro Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
Fil: Pach, Elzbieta. Lawrence Berkeley National Laboratory; Estados Unidos
Fil: Newberg, John. Lawrence Berkeley National Laboratory; Estados Unidos
Fil: Bluhm, Hendrik. Lawrence Berkeley National Laboratory; Estados Unidos
Fil: Besenbacher, Flemming. University Aarhus; Dinamarca
Fil: Salmeron, Miquel. Lawrence Berkeley National Laboratory; Estados Unidos - Materia
-
AB INITIO CALCULATIONS
DENSITY FUNCTIONAL THEORY
COPPER COMPOUNDS
ELECTRONIC STRUCTURE
OXIDATION
STOICHIOMETRY
THIN FILMS
X-RAY ABSORPTION SPECTRA
X-RAY PHOTOELECTRON SPECTRA - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
.jpg)
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/82185
Ver los metadatos del registro completo
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CONICET Digital (CONICET) |
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Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopyJiang, PengPrendergast, DavidBorondics, FerencPorsgaard, SoerenGiovanetti, Lisandro JosePach, ElzbietaNewberg, JohnBluhm, HendrikBesenbacher, FlemmingSalmeron, MiquelAB INITIO CALCULATIONSDENSITY FUNCTIONAL THEORYCOPPER COMPOUNDSELECTRONIC STRUCTUREOXIDATIONSTOICHIOMETRYTHIN FILMSX-RAY ABSORPTION SPECTRAX-RAY PHOTOELECTRON SPECTRAhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The 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.Fil: Jiang, Peng. Lawrence Berkeley National Laboratory; Estados UnidosFil: Prendergast, David. Lawrence Berkeley National Laboratory; Estados UnidosFil: Borondics, Ferenc. Lawrence Berkeley National Laboratory; Estados UnidosFil: Porsgaard, Soeren. University Aarhus; DinamarcaFil: Giovanetti, Lisandro Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; ArgentinaFil: Pach, Elzbieta. Lawrence Berkeley National Laboratory; Estados UnidosFil: Newberg, John. Lawrence Berkeley National Laboratory; Estados UnidosFil: Bluhm, Hendrik. Lawrence Berkeley National Laboratory; Estados UnidosFil: Besenbacher, Flemming. University Aarhus; DinamarcaFil: Salmeron, Miquel. Lawrence Berkeley National Laboratory; Estados UnidosAmerican Institute of Physics2013-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/82185Jiang, Peng; Prendergast, David; Borondics, Ferenc; Porsgaard, Soeren; Giovanetti, Lisandro Jose; et al.; Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy; American Institute of Physics; Journal of Chemical Physics; 138; 2; 1-2013; 1-6; 0247040021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/abs/10.1063/1.4773583info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4773583info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:45:08Zoai:ri.conicet.gov.ar:11336/82185instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:45:08.957CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
| dc.title.none.fl_str_mv |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| title |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| spellingShingle |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy Jiang, Peng AB INITIO CALCULATIONS DENSITY FUNCTIONAL THEORY COPPER COMPOUNDS ELECTRONIC STRUCTURE OXIDATION STOICHIOMETRY THIN FILMS X-RAY ABSORPTION SPECTRA X-RAY PHOTOELECTRON SPECTRA |
| title_short |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| title_full |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| title_fullStr |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| title_full_unstemmed |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| title_sort |
Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy |
| dc.creator.none.fl_str_mv |
Jiang, Peng Prendergast, David Borondics, Ferenc Porsgaard, Soeren Giovanetti, Lisandro Jose Pach, Elzbieta Newberg, John Bluhm, Hendrik Besenbacher, Flemming Salmeron, Miquel |
| author |
Jiang, Peng |
| author_facet |
Jiang, Peng Prendergast, David Borondics, Ferenc Porsgaard, Soeren Giovanetti, Lisandro Jose Pach, Elzbieta Newberg, John Bluhm, Hendrik Besenbacher, Flemming Salmeron, Miquel |
| author_role |
author |
| author2 |
Prendergast, David Borondics, Ferenc Porsgaard, Soeren Giovanetti, Lisandro Jose Pach, Elzbieta Newberg, John Bluhm, Hendrik Besenbacher, Flemming Salmeron, Miquel |
| author2_role |
author author author author author author author author author |
| dc.subject.none.fl_str_mv |
AB INITIO CALCULATIONS DENSITY FUNCTIONAL THEORY COPPER COMPOUNDS ELECTRONIC STRUCTURE OXIDATION STOICHIOMETRY THIN FILMS X-RAY ABSORPTION SPECTRA X-RAY PHOTOELECTRON SPECTRA |
| topic |
AB INITIO CALCULATIONS DENSITY FUNCTIONAL THEORY COPPER COMPOUNDS ELECTRONIC STRUCTURE OXIDATION STOICHIOMETRY THIN FILMS X-RAY ABSORPTION SPECTRA X-RAY PHOTOELECTRON SPECTRA |
| purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.4 https://purl.org/becyt/ford/1 |
| dc.description.none.fl_txt_mv |
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. Fil: Jiang, Peng. Lawrence Berkeley National Laboratory; Estados Unidos Fil: Prendergast, David. Lawrence Berkeley National Laboratory; Estados Unidos Fil: Borondics, Ferenc. Lawrence Berkeley National Laboratory; Estados Unidos Fil: Porsgaard, Soeren. University Aarhus; Dinamarca Fil: Giovanetti, Lisandro Jose. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina Fil: Pach, Elzbieta. Lawrence Berkeley National Laboratory; Estados Unidos Fil: Newberg, John. Lawrence Berkeley National Laboratory; Estados Unidos Fil: Bluhm, Hendrik. Lawrence Berkeley National Laboratory; Estados Unidos Fil: Besenbacher, Flemming. University Aarhus; Dinamarca Fil: Salmeron, Miquel. Lawrence Berkeley National Laboratory; Estados Unidos |
| description |
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. |
| publishDate |
2013 |
| dc.date.none.fl_str_mv |
2013-01 |
| dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
| format |
article |
| status_str |
publishedVersion |
| dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/82185 Jiang, Peng; Prendergast, David; Borondics, Ferenc; Porsgaard, Soeren; Giovanetti, Lisandro Jose; et al.; Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy; American Institute of Physics; Journal of Chemical Physics; 138; 2; 1-2013; 1-6; 024704 0021-9606 CONICET Digital CONICET |
| url |
http://hdl.handle.net/11336/82185 |
| identifier_str_mv |
Jiang, Peng; Prendergast, David; Borondics, Ferenc; Porsgaard, Soeren; Giovanetti, Lisandro Jose; et al.; Experimental and theoretical investigation of the electronic structure of Cu2O and CuO thin films on Cu(110) using x-ray photoelectron and absorption spectroscopy; American Institute of Physics; Journal of Chemical Physics; 138; 2; 1-2013; 1-6; 024704 0021-9606 CONICET Digital CONICET |
| dc.language.none.fl_str_mv |
eng |
| language |
eng |
| dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/abs/10.1063/1.4773583 info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4773583 |
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info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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openAccess |
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https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
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application/pdf application/pdf |
| dc.publisher.none.fl_str_mv |
American Institute of Physics |
| publisher.none.fl_str_mv |
American Institute of Physics |
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reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) |
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Consejo Nacional de Investigaciones Científicas y Técnicas |
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CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
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dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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