Density functional theory of water-gas shift reaction on molybdenum carbide

Article Abstract:

The density functional theory (DFT) of the water-gas shift (WGS) reaction over molybdenum carbide was studied. The WGS reaction on the beta-Mo(sub 2)C(001) slab carbide was calculated and took place as follows: H(sub 2)O was dissociated into OH and H on the Mo(sub 2)C surface and the OH subsequently dissociated into H and O atoms and CO approached the O atom to form CO(sub 2).

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Molybdenum Compounds, Usage, Density functionals, Density functional theory

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Characterization of molybdenum carbides for methane reforming by TPR, XRD, and XPS

Article Abstract:

The relationship between various molybdenum carbide species and their activity toward methane reforming is studied. It is found that the unsupported molybdenum carbide catalysts produced hydrogen in high selectivity, forming ethylene and ethane.

Science & research, Methane

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XPS study of nitrided molybdena/titania catalyst for the hydrodesulfurization of dibenzothiophene

Article Abstract:

Research is presented investigating the relationship between the molybdenum species of nitrided molybdena/titania catalysts and the hydrodesulfurization of the catalysts was carried out using XPS and X-ray diffraction.

Observations, Catalysts, Chemical reactions

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