O-W-Fre-14 Theoretical Insights into Oxidative and Non-Oxidative Dehydrogenation of Alkanes over Nanometer Metal and Metal Oxide Catalysts

Wednesday, June 5, 2013: 4:20 PM
French (Galt House Hotel)
Qiang Qian1, Matthew Neurock1, Stefan Vajda2, Maria Flytzani-Stephanopoulos3, Gary L. Haller4 and Lisa D. Pfefferle4, (1)University of Virginia, USA, (2)Argonne National Laboratory and Yale University, USA, (3)Tufts University, USA, (4)Yale University, USA.
Joint experimental and theoretical studies were carried to develop structure-property relationships that control the catalytic activity/selectivity for the oxidative and non-oxidative dehydrogenation of cyclohexane (a jet fuel surrogate) over CoOx and Pt nanoparticles. We outline the experimental results and present detailed theoretical results to elucidate the controlling catalytic mechanisms.

Extended Abstracts: