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Mechano-electrochemistry effects due to deformation of copper oxide films

Mechano-electrochemistry effects due to deformation of copper oxide films
Mechano-electrochemistry effects due to deformation of copper oxide films
In an attempt to elucidate the relationship and underlying processes of metal oxidation under stress, we combined electrochemical characterisation with Density-Functional-Theory (DFT) calculations to interrogate the (100) surface of copper. The oxidised (100) surface shows a missing-row reconstruction, which is believed to be driven by surface stress. Hence, additional mechanical stimuli might have significant impact onto the onset of Cu oxidation. We find that different surface sites respond differently to strain. Oads at the thermodynamically favoured high-coordination hollow site (O coordinated with four Cu) is stabilised by up to 130meV by imposing 2% tensile strain onto the surface, while the low-coordination top site (O coordinated to one Cu) shows a markedly different sensitivity. Cramping into the hollow site, Oads induces compressive stress into the (100) surface, an effect that is largely absent for adsorption at the top site. We also find that the thermodynamic advantage of reconstructive underpotential surface oxidation is diminished under tensile strain. Hence, imposing tensile stress counter-balances the oxygen induced surface stress, which might have an implication on the onset of bulk copper oxidation. Studying Cu (100) single crystal surfaces in perchloric acid using cyclic voltammetry, we were able to confirm sensitivity of the electrochemical response towards elastic strain
0301-7249
137-149
Kramer, Denis
1faae37a-fab7-4edd-99ee-ae4c30d3cde4
Wang, Yikun
2729f2f1-36d7-4daa-8589-b61fcc99a313
Wharton, J.A.
965a38fd-d2bc-4a19-a08c-2d4e036aa96b
Kramer, Denis
1faae37a-fab7-4edd-99ee-ae4c30d3cde4
Wang, Yikun
2729f2f1-36d7-4daa-8589-b61fcc99a313
Wharton, J.A.
965a38fd-d2bc-4a19-a08c-2d4e036aa96b

Kramer, Denis, Wang, Yikun and Wharton, J.A. (2015) Mechano-electrochemistry effects due to deformation of copper oxide films. Faraday Discussions, 180, 137-149. (doi:10.1039/C4FD00247D).

Record type: Article

Abstract

In an attempt to elucidate the relationship and underlying processes of metal oxidation under stress, we combined electrochemical characterisation with Density-Functional-Theory (DFT) calculations to interrogate the (100) surface of copper. The oxidised (100) surface shows a missing-row reconstruction, which is believed to be driven by surface stress. Hence, additional mechanical stimuli might have significant impact onto the onset of Cu oxidation. We find that different surface sites respond differently to strain. Oads at the thermodynamically favoured high-coordination hollow site (O coordinated with four Cu) is stabilised by up to 130meV by imposing 2% tensile strain onto the surface, while the low-coordination top site (O coordinated to one Cu) shows a markedly different sensitivity. Cramping into the hollow site, Oads induces compressive stress into the (100) surface, an effect that is largely absent for adsorption at the top site. We also find that the thermodynamic advantage of reconstructive underpotential surface oxidation is diminished under tensile strain. Hence, imposing tensile stress counter-balances the oxygen induced surface stress, which might have an implication on the onset of bulk copper oxidation. Studying Cu (100) single crystal surfaces in perchloric acid using cyclic voltammetry, we were able to confirm sensitivity of the electrochemical response towards elastic strain

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Accepted/In Press date: 10 February 2015
e-pub ahead of print date: 10 February 2015
Published date: 15 February 2015
Organisations: Engineering Mats & Surface Engineerg Gp, nCATS Group, Fluid Structure Interactions Group

Identifiers

Local EPrints ID: 374524
URI: http://eprints.soton.ac.uk/id/eprint/374524
ISSN: 0301-7249
PURE UUID: fbc7f865-53ab-40f7-94ec-88dd0e163de9
ORCID for Yikun Wang: ORCID iD orcid.org/0000-0001-5619-7795
ORCID for J.A. Wharton: ORCID iD orcid.org/0000-0002-3439-017X

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Date deposited: 20 Feb 2015 10:31
Last modified: 27 Apr 2022 01:58

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Contributors

Author: Denis Kramer
Author: Yikun Wang ORCID iD
Author: J.A. Wharton ORCID iD

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