首页|Tuning crystal phase of molybdenum carbide catalyst to induce the different selective hydrogenation performance
Tuning crystal phase of molybdenum carbide catalyst to induce the different selective hydrogenation performance
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NSTL
Elsevier
alpha-MoC, 8-Mo2C, and MoC-Mo2C were synthesized and investigated in the selective hydrogenation of 1,3 -butadiene to understand the effect of crystal phases. The catalysts were characterized by XRD, N-2-physisorption, SEM, TEM, XPS and chemisorptions. The adsorption properties and electronic properties over MoC(001) and Mo2C(001) were investigated by DFT calculations. The catalysts were evaluated at low and high temperatures in a fixed-bed reactor. beta-Mo2C exhibits high activity and low butenes selectivity, due to the high concentration of hydrogen at each active site as well as the stronger adsorption and higher capacity of alkene; MoC-Mo2C shows better stability due to synergetic effect. At high temperature, the reaction rate is more dependent on the P-H2 than P-C4H6. Increasing P-H2 could promote the activity and reduce oligomers formation. 8-Mo2C exhibits the best performance at high temperatures concerning its high activity and the inhibition of oligomerization. This work is valuable for the non-precious metal catalyst development.
NSTL
Elsevier
