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IJND-1

International Journal of Nano Dimension (Int. J. Nano Dimens.)

Editor-in-Chief: Dr. Khalil Pourshamsian; Director-in-Charge: Dr. Babak Sadeghi

Online ISSN: 2228-5059

Print ISSN: 2008-8868

Publishes Quarterly

Original Article
Structural and electronic properties of CO molecule adsorbed on the TiO2 supported Au overlayers: Insights from density functional theory computations

We have examined the adsorption behaviors of carbon monoxide (CO) molecule on TiO2 anatase supported Au overlayers. The results of density functional theory (DFT) calculations were used in order to gain insights into the effects of the adsorption of CO molecules on the considered hybrid nanostructures. We have investigated different adsorption geometries of CO over […]