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 states. Consequences for the catalytic activity of thin metal overlayers are discussed.
- Received 15 May 1998
DOI:https://doi.org/10.1103/PhysRevLett.81.2819
©1998 American Physical Society