Skip to main content
Kent Academic Repository

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

Sayle, D.C., Doig, J.A., Parker, S.C., Watson, G.W., Sayle, T.X.T. (2005) Computer aided design of nano-structured materials with tailored ionic conductivities. Physical Chemistry Chemical Physics, 7 (1). pp. 16-18. ISSN 14639076 (ISSN). (doi:10.1039/b413107j) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:46804)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided.
Official URL:
http://www.scopus.com/inward/record.url?eid=2-s2.0...

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.

Item Type: Article
DOI/Identification number: 10.1039/b413107j
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Phys. Chem. Chem. Phys. [Field not mapped to EPrints] C2 - 19785169 [Field not mapped to EPrints] AD - Dept. of Environ. and Ordnance Syst., Cranfield University, RMCS, Shrivenham, Swindon, United Kingdom [Field not mapped to EPrints] AD - Department of Chemistry, University of Bath, Claverton Down, Bath, Avon, United Kingdom [Field not mapped to EPrints] AD - Department of Chemistry, Trinity College, Dublin 2, Ireland [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: barium derivative, calcium derivative, fluorine derivative, article, chemical analysis, computer aided design, computer simulation, energy, ion conductance, molecular dynamics, nanoparticle, Barium Compounds, Calcium Fluoride, Cations, Computer-Aided Design, Electric Conductivity, Fluorides, Ions, Kinetics, Manufactured Materials, Models, Molecular
Subjects: Q Science
Divisions: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Dean Sayle
Date Deposited: 09 Mar 2015 16:37 UTC
Last Modified: 16 Nov 2021 10:19 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46804 (The current URI for this page, for reference purposes)

University of Kent Author Information

  • Depositors only (login required):

Total unique views for this document in KAR since July 2020. For more details click on the image.