Surface Restructuring, Kinetic Oscillations, and Chaos in Heterogeneous Catalytic Reactions

阅读量：

作者：

展开

摘要：

Kinetic oscillations in catalytic reactions on single-crystal surfaces often result from the interplay of the purely chemical reaction steps and adsorbate-induced surface restructuring. A classical example is CO oxidation on Pt(100). We survey evolution of the models used to simulate this reaction and show how it can be described self-consistently by employing Monte Carlo simulations combined with the lattice-gas model, taking into account substrate-substrate, substrate-adsorbate and adsorbate-adsorbate lateral interactions. Under the reactive conditions, this approach predicts formation of mesoscopic restructured well ordered islands with atomically sharp boundaries.

展开

关键词：

Theoretical or Mathematical/ carbon compounds catalysis chaos fluctuations oxidation platinum reaction kinetics surface chemistry surface reconstruction/ surface restructuring kinetic oscillations chaos heterogeneous catalytic reactions single-crystal surfaces purely chemical reaction steps adsorbate-induced surface restructuring carbon monoxide oxidation platinum (100) surface reaction simulation Monte Carlo simulations lattice-gas model substrate-substrate lateral interactions substrate-adsorbate lateral interactions adsorbate-adsorbate lateral interactions mesoscopic restructured well ordered islands atomically sharp boundaries CO Pt CO-O 2/ A8265J Heterogeneous catalysis at surfaces and other surface reactions A0545 Theory and models of chaotic systems A8220F Stochastic and trajectory models of chemical kinetics, other theories and models A8220W Computational modelling of chemical kinetics A8240 Chemical kinetics and reactions: special regimes A0540 Fluctuation phenomena, ra