OE13 Investigation of Methane Aromatization over Mo/ZSM-5 Catalysts with DFT Calculations and Operando Molecular Spectroscopy

Monday, June 6, 2011: 3:40 PM
Ambassador Ballroom 2 (Detroit Marriott Hotel at the Renaissance Center )
Jie Gao1, Jih-Mirn Jehng2, George B. Fitzgerald3, Israel E. Wachs4 and Simon G. Podkolzin1, (1)Department of Chemical Engineering and Materials Science, Stevens Institute of Technology, Hoboken, NJ, (2)Chemical Engineering, National Chung Hsing University, Taichung 402, Taiwan, (3)Accelrys, San Diego, CA, (4)Operando Molecular Spectroscopy & Catalysis Laboratory, Department of Chemical Engineering, Lehigh University, Bethlehem, PA
Initial structure of Mo active site in Mo/ZSM-5 catalysts for methane conversion to benzene was identified as isolated Mo oxide species by closely integrating operando Raman and UV-vis spectroscopies with DFT calculations. Initial Mo oxide species transform into Mo carbides under reaction conditions, but can be fully recovered on regeneration with oxygen.

Extended Abstracts: