DFT study of the interactions of H2O, O2 and H2O + O2 with TiO2 (1 0 1) surface
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DOI: 10.1016/j.commatsci.2017.05.002
Abstract: Abstract The interactions of H2O, O2 and H2O + O2 with TiO2 (1 0 1) surface was studied using density functional theory (DFT). The adsorption energy of H2O + O2 on the TiO2 surface is the largest, followed by O2, and… read more here.
Keywords: molecule; h2o h2o; tio2 surface; surface ... See more keywords