Critical Step in the HCl Oxidation Reaction over Single-Crystalline CeO2-x(111) : Peroxo-Induced Site Change of Strongly Adsorbed Surface Chlorine
The catalytic oxidation of HCl by molecular oxygen (Deacon process) over ceria allows the recovery of molecular chlorine from the omnipresent HCl waste produced in various industrial processes. In previous density functional theory (DFT) model-calculations by Amrute et al. [ J. Catal. 2012, 286, 287−297.], it was proposed that the most critical reaction step in this process is the displacement of
