Figure 4: HF and CA molecules chemisorbed on TiO2 crystal surfaces.

The polyhedrons are 3D Wulff construction diagrams of the anatase TiO2 crystals using the surface energies of HF-covered (001)/(101) (left), and CA/HF-covered (101) and (112)-b facets (right) in solution. The insets show the atomic model of capping agents (co-)chemisorbed on different crystal surfaces of anatase TiO2. Ti, O, H, F and C atoms are represented by balls in light grey, red, white, light blue and dark grey, respectively.