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Defect chemistry of a BaZrO3 ∑3 111 grain boundary by first principles calculations and space charge theory, Jonathan M. Polfus, K. Toyoura, F. Oba, I. Tanaka and R. Haugsrud*, Physical Chemistry Chemical Physics, 14, 12339-12346｛https://pubs.rsc.org/en/content/articlelanding/2012/cp/c2cp41101f#!divAbstract｝, July 2012
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