A calculation of surface diffusion coefficients of adsorbates on the (110) plane of tungsten

J. R. Banavar; M. H. Cohen; R. Gomer

doi:10.1016/0039-6028(81)90615-4

A calculation of surface diffusion coefficients of adsorbates on the (110) plane of tungsten

J. R. Banavar, M. H. Cohen, R. Gomer

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Abstract

An attempt to calculate the prefactors of the diffusion coefficients of tungsten, xenon and oxygen atoms on the W(110) plane in the zero-coverage limit was made, using a Fokker-Planck formalism. Pairwise substrate-substrate and adsorbate-substrate atom interactions were assumed and expressed by appropriate Morse potentials. The vibrations of the substrate were approximated by an Einstein model of independent oscillators. When Morse potentials were so adjusted as to give good agreement between experimental and calculated activation energies, a prefactor in excellent agreement with experiment was calculated for W/W(110). For Xe/W(110) and O/W(110) the calculated values were ∼10^-4 cm²/s, i.e. essentially "normal", while the experimental values are much lower. Possible reasons for the discrepancies are discussed.

Original language	English (US)
Pages (from-to)	113-126
Number of pages	14
Journal	Surface Science
Volume	107
Issue number	1
DOIs	https://doi.org/10.1016/0039-6028(81)90615-4
State	Published - May 2 1981
Externally published	Yes

All Science Journal Classification (ASJC) codes

Condensed Matter Physics
Surfaces and Interfaces
Surfaces, Coatings and Films
Materials Chemistry

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10.1016/0039-6028(81)90615-4

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title = "A calculation of surface diffusion coefficients of adsorbates on the (110) plane of tungsten",

abstract = "An attempt to calculate the prefactors of the diffusion coefficients of tungsten, xenon and oxygen atoms on the W(110) plane in the zero-coverage limit was made, using a Fokker-Planck formalism. Pairwise substrate-substrate and adsorbate-substrate atom interactions were assumed and expressed by appropriate Morse potentials. The vibrations of the substrate were approximated by an Einstein model of independent oscillators. When Morse potentials were so adjusted as to give good agreement between experimental and calculated activation energies, a prefactor in excellent agreement with experiment was calculated for W/W(110). For Xe/W(110) and O/W(110) the calculated values were ∼10-4 cm2/s, i.e. essentially {"}normal{"}, while the experimental values are much lower. Possible reasons for the discrepancies are discussed.",

author = "Banavar, {J. R.} and Cohen, {M. H.} and R. Gomer",

note = "Funding Information: This work was supportedi n part by NSF Grant DMR 79 07232. We have also benefitted from support by the Materials ResearchL aboratory of the National ScienceF oundation at The University of Chicago.",

year = "1981",

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doi = "10.1016/0039-6028(81)90615-4",

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T1 - A calculation of surface diffusion coefficients of adsorbates on the (110) plane of tungsten

AU - Banavar, J. R.

AU - Cohen, M. H.

AU - Gomer, R.

N1 - Funding Information: This work was supportedi n part by NSF Grant DMR 79 07232. We have also benefitted from support by the Materials ResearchL aboratory of the National ScienceF oundation at The University of Chicago.

PY - 1981/5/2

Y1 - 1981/5/2

N2 - An attempt to calculate the prefactors of the diffusion coefficients of tungsten, xenon and oxygen atoms on the W(110) plane in the zero-coverage limit was made, using a Fokker-Planck formalism. Pairwise substrate-substrate and adsorbate-substrate atom interactions were assumed and expressed by appropriate Morse potentials. The vibrations of the substrate were approximated by an Einstein model of independent oscillators. When Morse potentials were so adjusted as to give good agreement between experimental and calculated activation energies, a prefactor in excellent agreement with experiment was calculated for W/W(110). For Xe/W(110) and O/W(110) the calculated values were ∼10-4 cm2/s, i.e. essentially "normal", while the experimental values are much lower. Possible reasons for the discrepancies are discussed.

AB - An attempt to calculate the prefactors of the diffusion coefficients of tungsten, xenon and oxygen atoms on the W(110) plane in the zero-coverage limit was made, using a Fokker-Planck formalism. Pairwise substrate-substrate and adsorbate-substrate atom interactions were assumed and expressed by appropriate Morse potentials. The vibrations of the substrate were approximated by an Einstein model of independent oscillators. When Morse potentials were so adjusted as to give good agreement between experimental and calculated activation energies, a prefactor in excellent agreement with experiment was calculated for W/W(110). For Xe/W(110) and O/W(110) the calculated values were ∼10-4 cm2/s, i.e. essentially "normal", while the experimental values are much lower. Possible reasons for the discrepancies are discussed.

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A calculation of surface diffusion coefficients of adsorbates on the (110) plane of tungsten

Abstract

All Science Journal Classification (ASJC) codes

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