O-Th-Seg-3 Single-Site Zn/SiO2 Catalyst for C-H Activation: Insights from Theory

Thursday, June 6, 2013: 9:00 AM
Segell (Galt House Hotel)
Ujjal Das1, Hacksung Kim1,2, Neil M. Schweitzer1, Bo Hu3, Jeffrey P. Greeley1, Peter C. Stair1,2, Jeffrey T. Miller1, Adam S. Hock1,3 and Larry A. Curtiss1, (1)Argonne National Laboratory, USA, (2)Northwestern University, USA, (3)Illinois Institute of Technology, USA.
Platinum catalysts for alkane dehydrogenation show poor product selectivity. Single-site heterogeneous catalysts are promising alternatives for this reaction. We have synthesized single-site Zn@SiO2 catalysts that show high selectivity for propane to propylene conversion. Quantum calculations and UV-Raman studies to identify the active site and origin of selectivity will be presented.

Extended Abstracts: