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) Three adsorption sites including (a) top (T1–T3), (b) bridge (B1–B3), and (c) hollow (H1–H6) sites. Here, H atoms are shown by white spheres, while other O, Al, and Si atoms are shown by red spheres, yellow spheres, and purple spheres, respectively.