O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling

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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 calcu...

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Autor principal: Völker, E.
Otros Autores: Williams, F.J, Calvo, E.J, Jacob, T., Schiffrin, D.J
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 2012
Acceso en línea:Registro en Scopus
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100 1 |a Völker, E. 
245 1 0 |a O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling 
260 |c 2012 
270 1 0 |m Schiffrin, D.J.; Chemistry Department, University of Liverpool, Liverpool L69 7ZD, United Kingdom 
506 |2 openaire  |e Política editorial 
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520 3 |a 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.  |l eng 
593 |a Departamento de Química Inorgánica, Analítica y Química-Física, INQUIMAE-CONICET, Facultad Ciencias Exactas y Naturales, Pabellón 2, Buenos Aires C1428EHA, Argentina 
593 |a Chemistry Department, University of Liverpool, Liverpool L69 7ZD, United Kingdom 
593 |a Institute of Electrochemistry, Ulm University, Albert-Einstein-Allee 47, D-89081 Ulm, Germany 
700 1 |a Williams, F.J. 
700 1 |a Calvo, E.J. 
700 1 |a Jacob, T. 
700 1 |a Schiffrin, D.J. 
773 0 |d 2012  |g v. 14  |h pp. 7448-7455  |k n. 20  |p Phys. Chem. Chem. Phys.  |x 14639076  |t Physical Chemistry Chemical Physics 
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