Heather Abbott-Lyon - Methane dissociative chemisorption on Ru(0001)

Document created by Heather Abbott-Lyon on Aug 22, 2014
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  Publication Details (including relevant citation   information):

  H.L. Abbott and I. Harrison, Journal of   Catalysis, 254, 27 (2008).


  Microcanonical unimolecular rate theory (MURT) was used to   characterize methane dissociative chemisorption on Ru(0001).   Simulations of supersonic molecular beam and thermal bulb-derived   dissociative sticking coefficients indicated that the threshold   energy for CH4 dissociative chemisorption on Ru(0001) was E0 = 59   kJ/mol and that two surface oscillators were active in the   gas-surface collision complexes. MURT analysis of CH4 supersonic   beam experiments on several surfaces found that E0 decreased from   Ni(100)→Ru(0001)→Pt(111)→Ir(111). Although MURT simulations of   CH4 thermal dissociative sticking coefficients were in fairly   good accord with thermal bulb experiments at mbar pressures, they   were as much as 3–4 orders of magnitude higher than the apparent   sticking coefficients derived from CH4 decomposition or reforming   rates on supported nanoscale metal catalysts. Consequently, the   varied surface science studies on single crystals all strongly   suggested that relatively few surface sites were turning over on   the CH4-reforming nanocatalysts.

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