Chemical descriptors of yttria-stabilized zirconia at low defect concentration: an ab initio study.

Title:	Chemical descriptors of yttria-stabilized zirconia at low defect concentration: an ab initio study.
Authors:	Parkes, MA Refson, K d'Avezac, M Offer, GJ Brandon, NP Harrison, NM
Item Type:	Journal Article
Issue Date:	29-May-2015
Date of Acceptance:	14-May-2015
URI:	http://hdl.handle.net/10044/1/23526
DOI:	https://dx.doi.org/10.1021/acs.jpca.5b02031
ISSN:	1520-5215
Publisher:	American Chemical Society
Start Page:	6412
End Page:	6420
Journal / Book Title:	Journal of Physical Chemistry A
Volume:	119
Issue:	24
Copyright Statement:	© 2015 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://dx.doi.org/10.1021/acs.jpca.5b02031
Publication Status:	Published
Appears in Collections:	Mechanical Engineering Chemistry Earth Science and Engineering Grantham Institute for Climate Change Faculty of Natural Sciences Faculty of Engineering