Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces

Authors: 
Anja Toftelund, Isabela C. Man, Heine A. Hansen, Frank Abild-Pedersen, Thomas Bligaard, Jan Rossmeisl, Felix Studt
Year of publication: 
2012
Journal: 
ChemCatChem

We investigate the heterogeneously catalysed oxidation of HX (X= Cl, Br and I) on the RuO 2 (1 1 0) surface with DFT. We also solve a micro-kinetic model of HX oxidation and compare oxidation activity at different coverages. We further establish linear energy ...