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

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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Detalles Bibliográficos
Autores principales: Völker, E., Williams, F.J., Calvo, E.J., Jacob, T., Schiffrin, D.J.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_14639076_v14_n20_p7448_Volker
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_14639076_v14_n20_p7448_Volker
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spelling todo:paper_14639076_v14_n20_p7448_Volker2023-10-03T16:16:47Z O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling Völker, E. Williams, F.J. Calvo, E.J. Jacob, T. Schiffrin, D.J. 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. Fil:Völker, E. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Williams, F.J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Calvo, E.J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_14639076_v14_n20_p7448_Volker
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description 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.
format JOUR
author Völker, E.
Williams, F.J.
Calvo, E.J.
Jacob, T.
Schiffrin, D.J.
spellingShingle 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
author_facet Völker, E.
Williams, F.J.
Calvo, E.J.
Jacob, T.
Schiffrin, D.J.
author_sort Völker, E.
title O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling
title_short O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling
title_full O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling
title_fullStr O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling
title_full_unstemmed O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling
title_sort o 2 induced cu surface segregation in au-cu alloys studied by angle resolved xps and dft modelling
url http://hdl.handle.net/20.500.12110/paper_14639076_v14_n20_p7448_Volker
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AT calvoej o2inducedcusurfacesegregationinaucualloysstudiedbyangleresolvedxpsanddftmodelling
AT jacobt o2inducedcusurfacesegregationinaucualloysstudiedbyangleresolvedxpsanddftmodelling
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