Explaining improved photocatalytic activity of Double-walled TiO2 Nanotube: A hybrid density functional calculation
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DOI: 10.1016/j.apsusc.2021.151021
Abstract: Abstract The single-walled and double-walled TiO2 NTs rolled up with rectangular anatase (1 0 1) slab, have been investigated using modified hybrid density functional (m-B3LYP) with all-electron Gaussian basis set. We have considered single-walled and double-walled TiO2… read more here.
Keywords: walled tio2; tio2 nts; single walled; double walled ... See more keywords