Effect of defects on the stability of heteroepitaxial ceramic interfaces studied by computer simulation

Sayle, D.C., Sayle, T.X.T., Parker, S.C., Catlow, C.R.A., Harding, J.H. (1994) Effect of defects on the stability of heteroepitaxial ceramic interfaces studied by computer simulation. Physical Review B, 50 (19). pp. 14498-14505. ISSN 01631829 (ISSN). (doi:10.1103/PhysRevB.50.14498) (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:46844)

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

Static simulation techniques have been used to examine the defect chemistry in heteroepitaxial ceramic interfaces. Reduced ion density at the interface is seen to enhance the interfacial stability. The energetics of defect formation are shown to be substantially modified at the interface. In particular, we find that the energy of oxygen vacancy formation is lower at the interface between CeO2 thin films on Î±-Al2O3 compared with its value on the pure CeO2 surface. This effect of the interface may influence the catalytic activity of several systems. Â© 1994 The American Physical Society.

Item Type:	Article
DOI/Identification number:	10.1103/PhysRevB.50.14498
Additional information:	Unmapped bibliographic data: LA - English [Field not mapped to EPrints] AD - School of Chemistry, University of Bath, Avon BA1 7AY, United Kingdom [Field not mapped to EPrints] AD - Royal Institution of Great Britain, 21 Albemarle Street, London W1X 4BS, United Kingdom [Field not mapped to EPrints] AD - AEA Technology, B424.4, Harwell Laboratory, Didcot, Oxfordshire OX11 0RA, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Subjects:	Q Science Q Science > QC Physics Q Science > QD Chemistry
Divisions:	Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User:	Dean Sayle
Date Deposited:	21 Jan 2015 16:25 UTC
Last Modified:	16 Nov 2021 10:19 UTC
Resource URI:	https://kar.kent.ac.uk/id/eprint/46844 (The current URI for this page, for reference purposes)

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