Effect of Strain on the Reactivity of Metal Surfaces

Publication: Research - peer-reviewJournal article – Annual report year: 1998

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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.
Original languageEnglish
JournalPhysical Review Letters
Publication date1998
Volume81
Issue13
Pages2819-2822
ISSN0031-9007
DOIs
StatePublished

Bibliographical note

Copyright (1998) by the American Physical Society.

CitationsWeb of Science® Times Cited: 772

Keywords

  • EXCHANGE, CHEMISORPTION, CO ADSORPTION, NI(111) SURFACES, ADLAYERS, DISSOCIATION
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