Surface Modification of Perfect and Hydroxylated TiO2 Rutile (110) and Anatase (101) with Chromium Oxide Nanoclusters
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DOI: 10.1021/acsomega.7b01118
Abstract: We use first-principles density functional theory calculations to analyze the effect of chromia nanocluster modification on TiO2 rutile (110) and anatase (101) surfaces, in which both dry/perfect and wet/hydroxylated TiO2 surfaces are considered. We show… read more here.
Keywords: 110 anatase; hydroxylated tio2; tio2 rutile; rutile 110 ... See more keywords