Leiden University Student Repository

Visse, H.D. (2012)

Catalysis of CO oxidation using the kinetic Monte Carlo method

Bachelor thesis | Wiskunde (BSc)

The oxidation of CO on the Pd(100)(√ 5 × √ 5)R27◦ surface is studied using the kinetic Monte Carlo simulation method. The occupation by oxygen of a specific type of site – the hollow sites – is monitored in order to gain insight into experiments on the restructuring of the surface which itself might be a explanation of oscillations measured in the reactivity in the oxidation reaction. Two indications have been found that oxygen atoms will only vacate the hollow sites that are they normally occupy in a clean oxidized surface if their place is taken by CO molecules.

Author

Visse, H.D.

Faculty

Faculty of Science

Supervisors

Frenken, J.W.M.
Verbitskiy, E.A.

ECTS Credits

24

Language

en