Issue 1, 2005
From the journal:

Physical Chemistry Chemical Physics

Computer aided design of nano-structured materials with tailored ionic conductivities

Dean C. Sayle,*a   James A. Doig,a   Stephen C. Parker,b   Graeme W. Watsonc  and  Thi X. T. Saylea  

* Corresponding authors

a Department of Environmental and Ordnance Systems, Cranfield University, RMCS, Shrivenham, Swindon, UK
E-mail: D.C.Sayle@Cranfield.ac.uk

b Department of Chemistry, University of Bath, Claverton Down, Bath, Avon, UK

c Department of Chemistry, Trinity College, Dublin 2, Ireland

Abstract

We show, using simulation techniques, that the high ionic conductivity in BaF2/CaF2 heterolayers is because the interfaces reduce the activation energy barriers to mobility and increase the number of charge carriers.

Graphical abstract: Computer aided design of nano-structured materials with tailored ionic conductivities

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Article information

DOI
https://doi.org/10.1039/B413107J
Article type
Communication
Submitted
25 Aug 2004
Accepted
18 Oct 2004
First published
03 Nov 2004

Phys. Chem. Chem. Phys., 2005,7, 16-18

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Computer aided design of nano-structured materials with tailored ionic conductivities

D. C. Sayle, J. A. Doig, S. C. Parker, G. W. Watson and T. X. T. Sayle, Phys. Chem. Chem. Phys., 2005, 7, 16 DOI: 10.1039/B413107J

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