Density functional theory investigation of carbon monoxide adsorption on the kaolinite (001) surface

Zhao Jian^†, He Man-Chao, Hu Xiang-Xing, Gao Wei

(color online) The PDOS for the CO molecule adsorption on top site and the neighboring H and O atoms on surface at (a) Θ = 0.25 and (b) Θ = 1.0 ML, respectively.