Surface defect chemistry of Y-substituted and hydrated BaZrO3 with subsurface space-charge regions
Author:
Affiliation:
1. SINTEF Materials and Chemistry, Sustainable Energy Technology
2. NO-0314 Oslo
3. Norway
4. Department of Chemistry
5. University of Oslo
6. Centre for Materials Science and Nanotechnology (SMN)
7. NO-0349 Oslo
Abstract
First-principles calculations were utilized to elucidate the complete defect equilibria of surfaces of proton conducting BaZrO3, encompassing charged species adsorbed to the surface, defects in the surface layer as well as in the subsurface space-charge region and bulk.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2016/TA/C6TA02067D
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