Abstract:
Surface segregation effects on polycrystalline Au-Cu alloys (Au 0.80Cu 0.20, Au 0.85Cu 0.15 and Au 0.90Cu 0.10) were studied at room temperature by angle resolved XPS (ARXPS) and density functional theory (DFT) before and after exposure to O 2. Au surface enrichment was found as predicted from calculations showing that this process is energetically favourable, with a segregation energy for Au in a Cu matrix of -0.37 eV atom -1. Surface enrichment with Cu was observed after exposure to O 2 due to its dissociative adsorption, in agreement with DFT calculations that predicted an energy gain of -1.80 eV atom -1 for the transfer of Cu atoms to a surface containing adsorbed oxygen atoms, thus leading to an inversion in surface population. © 2012 the Owner Societies.
Registro:
Documento: |
Artículo
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Título: | O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling |
Autor: | Völker, E.; Williams, F.J.; Calvo, E.J.; Jacob, T.; Schiffrin, D.J. |
Filiación: | Departamento de Química Inorgánica, Analítica y Química-Física, INQUIMAE-CONICET, Facultad Ciencias Exactas y Naturales, Pabellón 2, Buenos Aires C1428EHA, Argentina Chemistry Department, University of Liverpool, Liverpool L69 7ZD, United Kingdom Institute of Electrochemistry, Ulm University, Albert-Einstein-Allee 47, D-89081 Ulm, Germany
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Año: | 2012
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Volumen: | 14
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Número: | 20
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Página de inicio: | 7448
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Página de fin: | 7455
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DOI: |
http://dx.doi.org/10.1039/c2cp40565b |
Título revista: | Physical Chemistry Chemical Physics
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Título revista abreviado: | Phys. Chem. Chem. Phys.
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ISSN: | 14639076
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CODEN: | PPCPF
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v14_n20_p7448_Volker |
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Citas:
---------- APA ----------
Völker, E., Williams, F.J., Calvo, E.J., Jacob, T. & Schiffrin, D.J.
(2012)
. O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling. Physical Chemistry Chemical Physics, 14(20), 7448-7455.
http://dx.doi.org/10.1039/c2cp40565b---------- CHICAGO ----------
Völker, E., Williams, F.J., Calvo, E.J., Jacob, T., Schiffrin, D.J.
"O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling"
. Physical Chemistry Chemical Physics 14, no. 20
(2012) : 7448-7455.
http://dx.doi.org/10.1039/c2cp40565b---------- MLA ----------
Völker, E., Williams, F.J., Calvo, E.J., Jacob, T., Schiffrin, D.J.
"O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling"
. Physical Chemistry Chemical Physics, vol. 14, no. 20, 2012, pp. 7448-7455.
http://dx.doi.org/10.1039/c2cp40565b---------- VANCOUVER ----------
Völker, E., Williams, F.J., Calvo, E.J., Jacob, T., Schiffrin, D.J. O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling. Phys. Chem. Chem. Phys. 2012;14(20):7448-7455.
http://dx.doi.org/10.1039/c2cp40565b