Identifying trapping desorption in gas-surface scattering

Tianying Yan; William L. Hase; John R. Barker

doi:10.1016/S0009-2614(00)00993-3

Identifying trapping desorption in gas-surface scattering

Tianying Yan, William L. Hase, John R. Barker

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

61 Scopus citations

Abstract

Classical trajectory simulations are used to determine the energy transfer distribution function P(E_f) for Ne-atoms scattering off the n-hexylthiolate self-assembled monolayer (SAM)/Au{111} surface. The form of P(E_f) depends on the angles at which it is measured. Though trapping desorption is insignificant for this system, backward scattering and scattering normal to the surface give rise to a unimodal P(E_f) in excellent agreement with the Boltzmann distribution. Forward scattering at large polar angles is bimodal with a Boltzmann-like component. These simulation results show that a Boltzmann component in P(E_f) does not necessarily correspond to a trapping desorption intermediate.

Original language	English
Pages (from-to)	84-91
Number of pages	8
Journal	Chemical Physics Letters
Volume	329
Issue number	1-2
DOIs	https://doi.org/10.1016/S0009-2614(00)00993-3
State	Published - Oct 13 2000

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title = "Identifying trapping desorption in gas-surface scattering",

abstract = "Classical trajectory simulations are used to determine the energy transfer distribution function P(Ef) for Ne-atoms scattering off the n-hexylthiolate self-assembled monolayer (SAM)/Au{111} surface. The form of P(Ef) depends on the angles at which it is measured. Though trapping desorption is insignificant for this system, backward scattering and scattering normal to the surface give rise to a unimodal P(Ef) in excellent agreement with the Boltzmann distribution. Forward scattering at large polar angles is bimodal with a Boltzmann-like component. These simulation results show that a Boltzmann component in P(Ef) does not necessarily correspond to a trapping desorption intermediate.",

author = "Tianying Yan and Hase, {William L.} and Barker, {John R.}",

note = "Funding Information: This work was supported by the National Science Foundation. John Barker wishes to thank the Department of Chemistry at Wayne State University for their hospitality during a very enjoyable sabbatical. ",

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T1 - Identifying trapping desorption in gas-surface scattering

AU - Yan, Tianying

AU - Hase, William L.

AU - Barker, John R.

N1 - Funding Information: This work was supported by the National Science Foundation. John Barker wishes to thank the Department of Chemistry at Wayne State University for their hospitality during a very enjoyable sabbatical.

PY - 2000/10/13

Y1 - 2000/10/13

N2 - Classical trajectory simulations are used to determine the energy transfer distribution function P(Ef) for Ne-atoms scattering off the n-hexylthiolate self-assembled monolayer (SAM)/Au{111} surface. The form of P(Ef) depends on the angles at which it is measured. Though trapping desorption is insignificant for this system, backward scattering and scattering normal to the surface give rise to a unimodal P(Ef) in excellent agreement with the Boltzmann distribution. Forward scattering at large polar angles is bimodal with a Boltzmann-like component. These simulation results show that a Boltzmann component in P(Ef) does not necessarily correspond to a trapping desorption intermediate.

AB - Classical trajectory simulations are used to determine the energy transfer distribution function P(Ef) for Ne-atoms scattering off the n-hexylthiolate self-assembled monolayer (SAM)/Au{111} surface. The form of P(Ef) depends on the angles at which it is measured. Though trapping desorption is insignificant for this system, backward scattering and scattering normal to the surface give rise to a unimodal P(Ef) in excellent agreement with the Boltzmann distribution. Forward scattering at large polar angles is bimodal with a Boltzmann-like component. These simulation results show that a Boltzmann component in P(Ef) does not necessarily correspond to a trapping desorption intermediate.

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DO - 10.1016/S0009-2614(00)00993-3

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SN - 0009-2614

VL - 329

SP - 84

EP - 91

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Identifying trapping desorption in gas-surface scattering

Abstract

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