Adsorption-induced  step formation

P. Thostrup; Ebbe Christoffersen; Henrik Qvist Lorensen; Karsten Wedel Jacobsen; Flemming Besenbacher; Jens Kehlet Nørskov

doi:10.1103/PhysRevLett.87.126102

Adsorption-induced step formation

P. Thostrup, Ebbe Christoffersen, Henrik Qvist Lorensen, Karsten Wedel Jacobsen, Flemming Besenbacher, Jens Kehlet Nørskov

Aarhus University

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Abstract

Through an interplay between density functional calculations, Monte Carlo simulations and scanning tunneling microscopy experiments, we show that an intermediate coverage of CO on the Pt(110) surface gives rise to a new rough equilibrium structure with more than 50% step atoms. CO is shown to bind so strongly to low-coordinated Pt atoms that it can break Pt-Pt bonds and spontaneously form steps on the surface. It is argued that adsorption-induced step formation may be a general effect, in particular at high gas pressures and temperatures.

Original language	English
Journal	Physical Review Letters
Volume	87
Issue number	12
Pages (from-to)	126102
ISSN	0031-9007
DOIs	https://doi.org/10.1103/PhysRevLett.87.126102
Publication status	Published - 2001

Bibliographical note

Copyright (2001) American Physical Society

Keywords

METAL-SURFACES
CO CHEMISORPTION
PT(110)
ENERGY
SELF-DIFFUSION

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10.1103/PhysRevLett.87.126102

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http://link.aps.org/doi/10.1103/PhysRevLett.87.126102

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abstract = "Through an interplay between density functional calculations, Monte Carlo simulations and scanning tunneling microscopy experiments, we show that an intermediate coverage of CO on the Pt(110) surface gives rise to a new rough equilibrium structure with more than 50% step atoms. CO is shown to bind so strongly to low-coordinated Pt atoms that it can break Pt-Pt bonds and spontaneously form steps on the surface. It is argued that adsorption-induced step formation may be a general effect, in particular at high gas pressures and temperatures.",

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AU - Thostrup, P.

AU - Christoffersen, Ebbe

AU - Lorensen, Henrik Qvist

AU - Jacobsen, Karsten Wedel

AU - Besenbacher, Flemming

AU - Nørskov, Jens Kehlet

PY - 2001

Y1 - 2001

N2 - Through an interplay between density functional calculations, Monte Carlo simulations and scanning tunneling microscopy experiments, we show that an intermediate coverage of CO on the Pt(110) surface gives rise to a new rough equilibrium structure with more than 50% step atoms. CO is shown to bind so strongly to low-coordinated Pt atoms that it can break Pt-Pt bonds and spontaneously form steps on the surface. It is argued that adsorption-induced step formation may be a general effect, in particular at high gas pressures and temperatures.

AB - Through an interplay between density functional calculations, Monte Carlo simulations and scanning tunneling microscopy experiments, we show that an intermediate coverage of CO on the Pt(110) surface gives rise to a new rough equilibrium structure with more than 50% step atoms. CO is shown to bind so strongly to low-coordinated Pt atoms that it can break Pt-Pt bonds and spontaneously form steps on the surface. It is argued that adsorption-induced step formation may be a general effect, in particular at high gas pressures and temperatures.

KW - METAL-SURFACES

KW - CO CHEMISORPTION

KW - PT(110)

KW - ENERGY

KW - SELF-DIFFUSION

U2 - 10.1103/PhysRevLett.87.126102

DO - 10.1103/PhysRevLett.87.126102

M3 - Journal article

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JO - Physical Review Letters

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