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... |
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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 |
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| 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 |
| Institutional Unit: | Schools > School of Engineering, Mathematics and Physics > Physics and Astronomy |
| Former Institutional Unit: |
Divisions > Division of Natural Sciences > Physics and Astronomy
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| Depositing User: | Dean Sayle |
| Date Deposited: | 09 Mar 2015 16:37 UTC |
| Last Modified: | 20 May 2025 09:36 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
Sayle, D.C..
| Creator's ORCID: |
 https://orcid.org/0000-0001-7227-9010
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