Abstract
The adsorption of CO2 on isostructural metal monoxides of rock-salt Structure (CaO-NiO) is investigated by DFT to probe the surface properties. The nature of adsorption varies with M. Adsorption is found particularly large on Tio, VO and CrO which can be easily oxidized; it is then accompanied by an electron transfer leading to the formation Of CO22- adsorbed oil a lattice oxygen atom. (C) 2008 Elsevier B.V. All rights reserved.