A DFT study of the acid–base properties of anatase TiO2 and tetragonal ZrO2 by adsorption of CO and CO2 probe molecules.

Hsin-Yi Tiffany Chen, Sergio Tosoni *, Gianfranco Pacchioni.
Surface Science 652, 2016, 163–171.

The CASCATBEL project has received funding from the European Community's Seventh
Framework Programme FP7/2007-2013 under Grant Agreement nº 604307