Effect of Strain on the Reactivity of Metal Surfaces

Manos Mavrikakis, Bjørk Hammer, Jens Kehlet Nørskov

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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 d states. Consequences for the catalytic activity of thin metal overlayers are discussed.
Original languageEnglish
JournalPhysical Review Letters
Volume81
Issue number13
Pages (from-to)2819-2822
ISSN0031-9007
DOIs
Publication statusPublished - 1998

Bibliographical note

Copyright (1998) by the American Physical Society.

Keywords

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

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