A DFT study of the acid–base properties of anatase TiO 2 and tetragonal ZrO 2 by adsorption of CO and CO 2 probe molecules

Published 2016 View Full Article

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Title
A DFT study of the acid–base properties of anatase TiO 2 and tetragonal ZrO 2 by adsorption of CO and CO 2 probe molecules
Authors
Keywords
Oxide surfaces, Density functional theory, Acid–base properties, Vibrational frequencies, CO and CO, 2, adsorption
Journal
SURFACE SCIENCE
Volume 652, Issue -, Pages 163-171
Publisher
Elsevier BV
Online
2016-02-18
DOI
10.1016/j.susc.2016.02.008

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