Effect of Strain on the Reactivity of Metal Surfaces
Publication: Research - peer-review › Journal article – Annual report year: 1998
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Effect of Strain on the Reactivity of Metal Surfaces. / Mavrikakis, Manos; Hammer, Bjørk; Nørskov, Jens Kehlet.
In: Physical Review Letters, Vol. 81, No. 13, 1998, p. 2819-2822.Publication: Research - peer-review › Journal article – Annual report year: 1998
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TY - JOUR
T1 - Effect of Strain on the Reactivity of Metal Surfaces
A1 - Mavrikakis,Manos
A1 - Hammer,Bjørk
A1 - Nørskov,Jens Kehlet
AU - Mavrikakis,Manos
AU - Hammer,Bjørk
AU - Nørskov,Jens Kehlet
PB - American Physical Society
PY - 1998
Y1 - 1998
N2 - 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.
AB - 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.
KW - EXCHANGE
KW - CHEMISORPTION
KW - CO ADSORPTION
KW - NI(111) SURFACES
KW - ADLAYERS
KW - DISSOCIATION
UR - http://link.aps.org/doi/10.1103/PhysRevLett.81.2819
U2 - 10.1103/PhysRevLett.81.2819
DO - 10.1103/PhysRevLett.81.2819
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 13
VL - 81
SP - 2819
EP - 2822
ER -