Mechanistic aspects of HC-SCR over HZSM-5: Hydrocarbon activation and role of carbon-nitrogen intermediates

Article Abstract:

A study focuses on the mechanism of lean N[O.sub.2] reduction by hydrocarbons over HZSM-5, particularly the formation of intermediate carbon-nitrogen species on the catalyst surface and the influence of nitrogen dioxide on the hydrocarbon oxidation using isotope-labeled oxygen. Results confirm a previously suggested reaction mechanism, which involves reaction of N[O.sup.+] species and hydrocarbon-derived species over Bronsted acid sites, forming isocyanate species.

Observations, Oxidation-reduction reaction, Oxidation-reduction reactions, Mechanical properties

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Metallopyrrole-capped carbon nanocones

Article Abstract:

Nickel-doped and nitrogen-doped carbon nanocones with various amounts of buckling that feature square-planar, (approximate) tetrahedral, and octahedral coordination are designed. The optimized geometries and electronic structures of these novel metallocarbon complexes are calculated by employing the B3LYP and GGA-BLYP (ADF) exchange-correlation functionals.

Nickel Compounds, Methods, Semiconductor doping, Structure

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