P-Tu-BRC-48 A First-principles View of the Cabrera-Mott Model of Metal Oxidation

Tuesday, June 4, 2013
Ballroom C (Galt House Hotel)
Anders Hellman, Henrik Grönbeck and Jakub Baran, Chalmers University of Technology, Sweden.
Thin oxides are widely used as catalysts and corrosion inhibitors.  The work of Cabrera and Mott (CM) still remains the main theoretical model for growth of thin oxides on metals. Here, we investigate the underlying assumptions of the CM model by means of first-principles.

Extended Abstracts:

See more of: Poster Session: Computational Catalysis II
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