11 - Investigation of methane aromatization over
Mo/ZSM-5 catalysts with operando spectroscopy and DFT calculations

Yong-Ming Dai, Jih-Mirn Jehng, Simon G Podkolzin, Bhairavi Modak, Professor Israel E Wachs Lehigh University, United States; Stevens Institute of Technology, United States

This investigation
represents the first operando
molecular spectroscopic study of methane conversion to benzene over supported Mo/ZSM-5
catalysts. The study determines the molecular structures of supported Mo
species under different environments and the nature of surface carbon reaction intermediates.
Additional molecular structural and reaction mechanistic insights are provided
from complementary DFT calculations. The supported Mo phase is present as
hydrated Mo₈O₂₄ species under ambient conditions,
isolated dioxo surface MoO₄ species upon dehydration and reduced amorphous
MoC_x or MoO_xC_y species during methane activation
to benzene.

Sunday, August 22, 2010 02:50 PM
Operando and In Situ Spectroscopy (02:00 PM - 05:30 PM)
Location: Boston Convention & Exhibition Center
Room: Room 206B