Issue 7, 2001
From the journal:

Chemical Communications

Hop, skip or jump? Proton transport in the CaZrO3 perovskite oxide

M. Saiful Islam,*a   R. Andrew Daviesa  and  Julian D. Galeb  

* Corresponding authors

a Department of Chemistry, University of Surrey, Guildford, UK
E-mail: m.islam@surrey.ac.uk

b Department of Chemistry, Imperial College of Science, Technology and Medicine, London, UK

Abstract

Ab initio simulations of the CaZrO3 proton conductor predict that the transport mechanism involves proton transfer between adjacent oxygen ions (but predominantly inter-octahedra), and that the energetics of proton–dopant binding is favourable in accord with spectroscopic evidence.

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Article information

DOI
https://doi.org/10.1039/B100960P
Article type
Communication
Submitted
29 Jan 2001
Accepted
02 Mar 2001
First published
19 Mar 2001

Chem. Commun., 2001, 661-662

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Hop, skip or jump? Proton transport in the CaZrO3 perovskite oxide

M. S. Islam, R. A. Davies and J. D. Gale, Chem. Commun., 2001, 661 DOI: 10.1039/B100960P

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