Optical Properties of Titania–Zirconia Clusters: a TD-DFT Study
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DOI: 10.1007/s10876-019-01529-4
Abstract: Time dependent density functional theory (TD-DFT) study of the optical properties of titania (TiO2), Zirconia (ZrO2) and their hybrid clusters TiZrO4 are reported. The UV–Visible spectra and Circular Dichroism spectra of the clusters were computed… read more here.
Keywords: optical properties; geometry; dft study; zirconia ... See more keywords