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) Adsorption geometry of CO molecule on the (a) top, (b) bridge, and (c) hollow sites of kaolinite (001). The adsorbed CO molecule is shown in blue for clarity.