Effect of Strain on the Reactivity of Metal Surfaces
Manos MavrikakisCenter for Atomic-scale Materials Physics, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, DenmarkBjørk HammerInstitute of Physics, Aalborg University, DK-9220 Aalborg, DenmarkJens K. NørskovCenter for Atomic-scale Materials Physics, Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark
1998en
ABI
Abstract
Self-consistent density functional calculations for the adsorption of O and CO, and the dissociation of CO on strained and unstrained Ru(0001) surfaces are used to show how strained metal surfaces have chemical properties that are significantly different from those of unstrained surfaces. Surface reactivity increases with lattice expansion, following a concurrent up-shift of the metal $d$ states. Consequences for the catalytic activity of thin metal overlayers are discussed.
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