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Using density-functional theory we assess the stability of bulk and surfaceoxides of the late 4d transition metals in a ``constrained equilibrium'' with agas phase formed of O2 and CO. While the stability range of the most stablebulk oxide extends for ruthenium well into gas phase conditions representativeof technological CO oxidation catalysis, this is progressively less so for the4d metals to its right in the periodic system. Surface oxides couldnevertheless still be stable under such conditions. These thermodynamicconsiderations are discussed in the light of recent experiments, emphasizingthe role of (surface) oxides as the active phase of model catalysts formed fromthese metals.

Oxide formation at the surface of late 4d transition metals: insights from first-principles atomistic thermodynamics