AVS 45th International Symposium
    Surface Science Division Tuesday Sessions
       Session SS2-TuM

Paper SS2-TuM6
The Effect of Strain on the Reactivity of Metal Surfaces

Tuesday, November 3, 1998, 10:00 am, Room 309

Session: Noble Metal Catalysis
Presenter: M. Mavrikakis, Technical University of Denmark
Authors: M. Mavrikakis, Technical University of Denmark
B. Hammer, Aalborg University, Denmark
J.K. Norskov, Technical University of Denmark
Correspondent: Click to Email
Self-consistent density functional calculations for the adsorption of O and CO, and the barrier to CO dissociation on strained and unstrained Ru(0001) surfaces are used to illustrate the general phenomenon of strained metal surfaces having chemical properties drastically different from those of unstrained surfaces. Surface reactivity increases with lattice expansion, following a concurrent upshift of the metal d-states. Consequences for the catalytic activity of thin metal overlayers are discussed.