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Dr. Anja Toftelund, Dr. Isabela C. Man, Dr. Heine A. Hansen, Dr. Frank Abild-Pedersen, Dr. Thomas Bligaard, Prof. Jan Rossmeisl and Dr. Felix Studt Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces ChemCatChem 4

Article first published online: 20 JUL 2012 | DOI: 10.1002/cctc.201200140

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An explosive relationship: DFT calculations are used to establish volcano relationships for the heterogeneously catalyzed oxidation of hydrogen halides over rutile oxide surfaces. RuO2 is found to be closest to the top for all three processes. The activity generally increases from chlorine to bromine to iodine.

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