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• W1996195512 abstract "A recently introduced lattice gas model [Kuzovkov et al., J. Chem. Phys. 108, 5571 (1998)] is used for the microscopic description of surface reactions on reconstructing surfaces. The model can easily be adapted to different surface reaction systems, e.g., the CO+O2, CO+NO, NO+H2, and NO+NH3 reactions. In addition many reconstructing single crystal surfaces such as Pt(100), Pt(110), Rh(100), and Rh(110) can be simulated because only those properties of the different surface phases are considered which carry the essential physics. Changes in the coordination number are neglected for the different surface phases. In the present study the CO oxidation on Pt single crystal catalysts is investigated for illustration. The model takes CO diffusion and surface reconstruction into account. Very interesting phenomena are observed besides the kinetic oscillations in the particle densities: formation of mesoscopic patterns and synchronization. Only few parameters, as there are the CO gas phase concentration y, the CO diffusion constant D, the CO desorption constant k, and the surface phase propagation velocity V are sufficient to obtain a realistic model showing regular [Pt(110)] and irregular [Pt(100)] oscillations as well as the presence and absence of spatiotemporal patterns, respectively, as observed in experiments. In addition the model gives the critical CO coverage for the surface reconstruction as a result of the model. The small number of parameters renders it possible to study the whole parameter regime and to associate the observed phenomena with these parameters." @default.
• W1996195512 created "2016-06-24" @default.
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• W1996195512 date "1999-06-15" @default.
• W1996195512 modified "2023-09-25" @default.
• W1996195512 title "Simulation of kinetic oscillations in surface reactions on reconstructing surfaces" @default.
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• W1996195512 doi "https://doi.org/10.1063/1.479094" @default.
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