The adsorption and reactions of SiClx (x = 0-4) on hydroxylated TiO2 anatase (1 0 1) surface: A computational study on the functionalization of titania with Cl2Si(O)O adsorbate

► We determine the adsorption and reactions of the SiClx (x = 0-4) on the hydroxylated TiO2 anatase (1 0 1) surface. ► A computational study on the functionalization of titania with Cl2Si(O)O adsorbate is provided. ► The high stability of Cl2Si(O)O can be employed as a molecular linker for Si and semiconductor quantum dot growth on TiO2.