C[O.sub.2] reforming of C[H.sub.4] on Ni(111): A density functional theory calculation

Article Abstract:

Density functional theory (DFT) calculations are used to investigate C[O.sub.2] reforming of C[H.sub.4] on Ni(111). The computed energy barriers of the most favorable elementary reaction have identified the C[H.sub.4] activation into C[H.sub.3] and H as the rate-determining step of C[O.sub.2] reforming of C[H.sub.4] on Ni(111).

Nickel Compounds, Analysis, Density functionals, Density functional theory, Properties, Carbon compounds, Structure

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Photocatalytic reduction of CO2 to Co in the presence of H2 or CH4 as a reductant over MgO

Article Abstract:

The photocatalytic reduction of CO2 over MgO in the presence of CH4 as well as H2 is presented. CO2 adsorbed in MgO is activated to a CO(sub 2)(super -) radical under photoirradiation, and the CO(sub 2)(super -) radical was reduced to the surface bidentate formate in the presence of H2 and CH4 in the dark.

Industrial Gas Manufacturing, Industrial gases, Carbon Dioxide, Magnesium Oxide, Observations, Optical properties, Photochemistry

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