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
Issue
11
Volume
4
Starting page
1856
Ending page
1861
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 ...
Keywords
adsorption; density functional calculations; halides; kinetics; oxidation
Funding sources