EFFECT OF STRAIN ON THE REACTIVITY OF METAL-SURFACES

Authors
MAVRIKAKIS M HAMMER B NORSKOV JK
Citation
M. Mavrikakis et al., EFFECT OF STRAIN ON THE REACTIVITY OF METAL-SURFACES, Physical review letters, 81(13), 1998, pp. 2819-2822
Citations number
26
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
81
Issue
13
Year of publication
1998
Pages
2819 - 2822
Database
ISI
SICI code
0031-9007(1998)81:13<2819:EOSOTR>2.0.ZU;2-C
Abstract
Self-consistent density functional calculations for the adsorption of O and CO, and the dissociation of CO on strained and unstrained Ru(000 1) 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, followi ng a concurrent up-shift of the metal d states. Consequences for the c atalytic activity of thin metal overlayers are discussed.