Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations
Jun He(China University of Geosciences), Susan B. Sinnott(University of Florida), Michael W. Finnis(Imperial College London), Elizabeth C. Dickey(North Carolina State University), Rakesh K. Behera(University of Florida), Simon R. Phillpot(Argonne National Laboratory), Xiaoyue Li(Jiangsu Normal University)
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