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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Autores principales: Völker, Edgar, Williams, Federico Jose, Calvo, Ernesto Julio
Publicado: 2012
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v14_n20_p7448_Volker
http://hdl.handle.net/20.500.12110/paper_14639076_v14_n20_p7448_Volker
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_14639076_v14_n20_p7448_Volker
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spelling paper:paper_14639076_v14_n20_p7448_Volker2023-06-08T16:16:24Z O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling Völker, Edgar Williams, Federico Jose Calvo, Ernesto Julio 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. 2012 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v14_n20_p7448_Volker 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.
author Völker, Edgar
Williams, Federico Jose
Calvo, Ernesto Julio
spellingShingle Völker, Edgar
Williams, Federico Jose
Calvo, Ernesto Julio
O 2 induced Cu surface segregation in Au-Cu alloys studied by angle resolved XPS and DFT modelling
author_facet Völker, Edgar
Williams, Federico Jose
Calvo, Ernesto Julio
author_sort Völker, Edgar
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
publishDate 2012
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14639076_v14_n20_p7448_Volker
http://hdl.handle.net/20.500.12110/paper_14639076_v14_n20_p7448_Volker
work_keys_str_mv AT volkeredgar o2inducedcusurfacesegregationinaucualloysstudiedbyangleresolvedxpsanddftmodelling
AT williamsfedericojose o2inducedcusurfacesegregationinaucualloysstudiedbyangleresolvedxpsanddftmodelling
AT calvoernestojulio o2inducedcusurfacesegregationinaucualloysstudiedbyangleresolvedxpsanddftmodelling
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