Dynamic vs static behaviour of a supported nanoparticle with reaction-induced catalytic sites in a lattice model

Abstract

Modern literature shows a rapidly growing interest to the supported nanocatalysts with dynamic behaviour under reaction conditions. This new frontier of heterogeneous catalysis is recognized as one of the most challenging and worthy of consideration from all possible angles. In this context, a previously suggested lattice model is used to get an insight, by means of kinetic Monte Carlo, into the influence of the mobility of reaction-induced catalytic sites of a two-dimensional supported nanoparticle on the system behaviour. The results speak in favour of feasibility of dynamic nanocatalysts with self-organized structures capable of robust functioning. This approach, from the macroscopic end, is believed to be a useful complement to ever developing experimental and first principle approaches.