Synthesis, structure and ionic conductivity in nanopolycrystalline BaF2/CaF2 heterolayers

Dean C. Sayle; James A. Doig; Stephen C. Parker; Graeme W. Watson

doi:10.1039/B305393H

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Synthesis, structure and ionic conductivity in nanopolycrystalline BaF₂/CaF₂ heterolayers†

Dean C. Sayle,*^a James A. Doig,^a Stephen C. Parker^b and Graeme W. Watson^c

Author affiliations

* Corresponding authors

^a Dept. Environmental and Ordnance Systems, Cranfield University, RMCS, Shrivenham, Swindon, UK
E-mail: sayle@rmcs.cranfield.ac.uk, j.a.doig@rmcs.cranfield.ac.uk
Fax: +44 (0) 1793 785772
Tel: + 44 (0) 1793 785264

^b Dept. Chemistry, University of Bath, Claverton Down, Bath, Avon, UK
E-mail: S.C.Parker@bath.ac.uk
Fax: +44 (0) 1225 826231
Tel: +44 (0) 1225 826505

^c Dept. Chemistry, Trinity College, Dublin, Ireland
E-mail: watsong@tcd.ie
Fax: +353 (0)1 671 2826
Tel: +353 (0)1 608 1357

Abstract

Atomistic simulations have shown that the calculated conductivity of nano-polycrystalline BaF₂/CaF₂ heterolayers is considerably higher than the component bulk materials and we predict that grain-boundary diffusion is the key to fast ionic conductivity in these systems.

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Supplementary files

Potential parameters and pertinent calculated physical properties PDF (15K)

Article information

DOI: https://doi.org/10.1039/B305393H
Article type: Communication
Submitted: 13 May 2003
Accepted: 04 Jun 2003
First published: 25 Jun 2003

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Chem. Commun., 2003, 1804-1806

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Synthesis, structure and ionic conductivity in nanopolycrystalline BaF₂/CaF₂ heterolayers

D. C. Sayle, J. A. Doig, S. C. Parker and G. W. Watson, Chem. Commun., 2003, 1804 DOI: 10.1039/B305393H

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