Issue 20, 2012
From the journal:

Physical Chemistry Chemical Physics

O2 induced Cu surface segregation in Au–Cu alloys studied by angle resolved XPS and DFT modelling

Edgar Völker,ab   Federico J. Williams,a   Ernesto J. Calvo,a   Timo Jacobc  and  David J. Schiffrin*b  

* Corresponding authors

a Departamento de Química Inorgánica, Analítica y Química-Física, INQUIMAE-CONICET, Facultad Ciencias Exactas y Naturales, Pabellón 2, Ciudad Universitaria, Buenos Aires, Argentina

b Chemistry Department, University of Liverpool, Liverpool, UK L69 7ZD

c Institute of Electrochemistry, Ulm University, Albert-Einstein-Allee 47, D-89081 Ulm, Germany

Abstract

Surface segregation effects on polycrystalline Au–Cu alloys (Au0.80Cu0.20, Au0.85Cu0.15 and Au0.90Cu0.10) were studied at room temperature by angle resolved XPS (ARXPS) and density functional theory (DFT) before and after exposure to O2. 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 O2 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.

Graphical abstract: O2 induced Cu surface segregation in Au–Cu alloys studied by angle resolved XPS and DFT modelling

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/C2CP40565B
Article type
Paper
Submitted
23 Feb 2012
Accepted
28 Mar 2012
First published
29 Mar 2012

Phys. Chem. Chem. Phys., 2012,14, 7448-7455

Permissions

Request permissions

O2 induced Cu surface segregation in Au–Cu alloys studied by angle resolved XPS and DFT modelling

E. Völker, F. J. Williams, E. J. Calvo, T. Jacob and D. J. Schiffrin, Phys. Chem. Chem. Phys., 2012, 14, 7448 DOI: 10.1039/C2CP40565B

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements