ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys

Surface segregation of Pb has been studied using angle resolved X-ray Photoelectron Spectroscopy (ARXPS) and Density Functional Theory (DFT) modelling in a polycrystalline Au0.85Cu0.15 alloy. Au surface enrichment was found in the alloy surface, whereas Pb surface enrichment was detected after annea...

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Detalles Bibliográficos
Publicado: 2014
Materias:
DFT
XPS
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09258388_v586_n_p475_Volker
http://hdl.handle.net/20.500.12110/paper_09258388_v586_n_p475_Volker
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spelling paper:paper_09258388_v586_n_p475_Volker2023-06-08T15:51:28Z ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys DFT Gold-copper alloy Metals and alloys Photoelectron spectroscopies XPS Angle-resolved X-ray photoelectron spectroscopy DFT Gold-copper alloys Low concentrations Metals and alloys Polycrystalline au Surface enrichment Thermally induced Alloys Atoms Density functional theory Lead Metallurgy Photoelectron spectroscopy Photoelectrons Surface segregation X ray photoelectron spectroscopy Cerium alloys Surface segregation of Pb has been studied using angle resolved X-ray Photoelectron Spectroscopy (ARXPS) and Density Functional Theory (DFT) modelling in a polycrystalline Au0.85Cu0.15 alloy. Au surface enrichment was found in the alloy surface, whereas Pb surface enrichment was detected after annealing. ARXPS depth profiles show a 23% surface coverage by Pb atoms. DFT calculations predict an approximate coverage of  monolayer (ML) of Pb atoms in the first atomic layer, consistent with the experimental results. The results presented here are an example of the importance of low concentration of impurities in determining the surface composition of bulk alloys. © 2013 Elsevier B.V. All rights reserved. 2014 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09258388_v586_n_p475_Volker http://hdl.handle.net/20.500.12110/paper_09258388_v586_n_p475_Volker
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic DFT
Gold-copper alloy
Metals and alloys
Photoelectron spectroscopies
XPS
Angle-resolved X-ray photoelectron spectroscopy
DFT
Gold-copper alloys
Low concentrations
Metals and alloys
Polycrystalline au
Surface enrichment
Thermally induced
Alloys
Atoms
Density functional theory
Lead
Metallurgy
Photoelectron spectroscopy
Photoelectrons
Surface segregation
X ray photoelectron spectroscopy
Cerium alloys
spellingShingle DFT
Gold-copper alloy
Metals and alloys
Photoelectron spectroscopies
XPS
Angle-resolved X-ray photoelectron spectroscopy
DFT
Gold-copper alloys
Low concentrations
Metals and alloys
Polycrystalline au
Surface enrichment
Thermally induced
Alloys
Atoms
Density functional theory
Lead
Metallurgy
Photoelectron spectroscopy
Photoelectrons
Surface segregation
X ray photoelectron spectroscopy
Cerium alloys
ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
topic_facet DFT
Gold-copper alloy
Metals and alloys
Photoelectron spectroscopies
XPS
Angle-resolved X-ray photoelectron spectroscopy
DFT
Gold-copper alloys
Low concentrations
Metals and alloys
Polycrystalline au
Surface enrichment
Thermally induced
Alloys
Atoms
Density functional theory
Lead
Metallurgy
Photoelectron spectroscopy
Photoelectrons
Surface segregation
X ray photoelectron spectroscopy
Cerium alloys
description Surface segregation of Pb has been studied using angle resolved X-ray Photoelectron Spectroscopy (ARXPS) and Density Functional Theory (DFT) modelling in a polycrystalline Au0.85Cu0.15 alloy. Au surface enrichment was found in the alloy surface, whereas Pb surface enrichment was detected after annealing. ARXPS depth profiles show a 23% surface coverage by Pb atoms. DFT calculations predict an approximate coverage of  monolayer (ML) of Pb atoms in the first atomic layer, consistent with the experimental results. The results presented here are an example of the importance of low concentration of impurities in determining the surface composition of bulk alloys. © 2013 Elsevier B.V. All rights reserved.
title ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
title_short ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
title_full ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
title_fullStr ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
title_full_unstemmed ARXPS and DFT studies of thermally induced Pb surface segregation on Au/Cu alloys
title_sort arxps and dft studies of thermally induced pb surface segregation on au/cu alloys
publishDate 2014
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09258388_v586_n_p475_Volker
http://hdl.handle.net/20.500.12110/paper_09258388_v586_n_p475_Volker
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