Publication: Research - peer-review › Journal article – Annual report year: 1998
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.
|Journal||Physical Review Letters|
|State||Published - 1998|
Copyright (1998) by the American Physical Society.
|Citations||Web of Science® Times Cited: 891|
- EXCHANGE, CHEMISORPTION, CO ADSORPTION, NI(111) SURFACES, ADLAYERS, DISSOCIATION
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