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Catalysis Letters, 2013, Volume 143, Issue 8, pp 817-828.
A. R. Cholach, N. N. Bulgakov.
Boreskov Institute of Catalysis, Prospekt Akademika Lavrentieva 5, 630090, Novosibirsk, Russian Federation.
Abstract
The conventional mechanism of oscillatory phenomena in the NO + H2 reaction on noble metals is supplemented with the temporal reaction route, providing fast removal of atomic nitrogen from saturated Nad layer via NHad species as a catalyst. The total sum of lost valences at a given adsorption site is taken as a degree of local surface imperfection. A semi-empirical evaluation of this approach regards an enormous advantage of Nad atoms at a grain boundary against perfect terraces in the activity of NHad formation as a driving force of both spatiotemporal and rate oscillations. Besides, NHad species are expected to obey an “easy-come-easy-go” principle enabling their ready formation as well as high diffusivity and reactivity. Mathematical modelling at fixed realistic step constants reveals three kinetic region-attractors related to a steady state, regular oscillations, and total reaction suppression by adsorbed oxygen atoms.
