Hybrid Density-Functional Calculations of Formic Acid on Anatase TiO2 (101) Surfaces
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DOI: 10.1021/acs.jpcc.7b06957
Abstract: Recent experimental observations suggested that the presence of oxygen vacancies on TiO2 surfaces affects the adsorption mode of formic acid (Xu, M.; Catal. Today 2012, 182, 12). Here we use density functional theory and the… read more here.
Keywords: density functional; tio2 101; 101 surfaces; formic acid ... See more keywords