Nanostructured surfaces

Fine structure of oscillatory reaction of carbon monoxide oxidation on the metal catalyst surface
Kostrobii P.P., Ryzha I.A.
Department of Applied Mathematics, Lviv Polytechnic National University. St. Bandera Str., 12, Lviv-79013, Ukraine. 
E-mail: iryna.a.ryzha@lpnu.ua

A two-dimensional mathematical model for reaction-diffusion processes of carbon monoxide (CO) oxidation on platinum (Pt) catalyst surface on the basis of generalized KEE model [1,2] is constructed and investigated. It takes into account:
•	the peculiarities of the Langmuir–Hinshelwood mechanism [3] for a chemical reaction;
•	the two-dimensionality of the surface on which the catalytic oxidation reaction takes place;
•	the influence of diffusion effects on the course of reaction-diffusion processes;
•	the nanostructure reconstruction of Pt(110) surface during CO oxidation starting with an adsorbate-induced (1×2)-(1×1) structural reconstruction [4] and ending with the formation of new crystal planes – faceting [1].
The spatial and temporal periodic chemical oscillations of CO and oxygen surface coverages and the fraction of the catalyst surface in the nonreconstructed (1×1) structure are revealed. It is shown that the structural changes of Pt(110) surface during oxidation reaction have a significant influence on the character of oscillatory mode of reaction and lead to a fine structure.

1.	Krischer K., Eiswirth M., Ertl G. Oscillatory CO oxidation on Pt(110): Modeling of temporal self-organization // J Chem Phys.-1992.-96, N 12.-P. 9161-9172.
2.	Kostrobij P., Ryzha I., Markovych B. Mathematical model of carbon monoxide oxidation: influence of the catalyst surface structure // Math Model Comput.-2018.-5, N 2.-P. 158-168.
3.	Imbihl R., Ertl G. Oscillatory kinetics in heterogeneous catalysis // Chem Rev.-1995.-95, N 3.-P. 697-733.
4.	Gritsch T., Coulman D., Behm R. J., Ertl G. Mechanism of the CO-induced (1×2)-(1×1) structural transformation of Pt(110) // Phys Rev Lett.-1989.-63, N 10.-P. 1086-1089.