A one-dimensional model for phonon-induced desorption

Shlomo Efrima; Czeslaw Jedrzejek; Karl F. Freed; Eric Hood; Horia Metiu

doi:10.1063/1.446053

A one-dimensional model for phonon-induced desorption

Shlomo Efrima, Czeslaw Jedrzejek, Karl F. Freed, Eric Hood, Horia Metiu

Department of Chemistry

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65 Scopus citations

Abstract

We derive the kinetic equations for a one-dimensional model of phonon-induced desorption. We start with a generalized master equation and discuss approximations that reduce it to a master equation of the Pauli type. This describes desorption as a stochastic process in which the energy of the chemisorptive bond has random variations caused by the thermal fluctuations of the lattice atoms. Desorption occurs when the bond energy exceeds a certain value, placing the adsorbed particle in a continuum state of the surface-particle potential. The calculation of the rates of energy transfer includes multiphonon processes and allows transitions between all the bound levels of the adsorbed particle. Numerical calculations are presented in a subsequent paper.

Original language	English
Pages (from-to)	2436-2453
Number of pages	18
Journal	Journal of Chemical Physics
Volume	79
Issue number	5
DOIs	https://doi.org/10.1063/1.446053
State	Published - 1 Jan 1983

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.446053

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AU - Efrima, Shlomo

AU - Jedrzejek, Czeslaw

AU - Freed, Karl F.

AU - Hood, Eric

AU - Metiu, Horia

PY - 1983/1/1

Y1 - 1983/1/1

N2 - We derive the kinetic equations for a one-dimensional model of phonon-induced desorption. We start with a generalized master equation and discuss approximations that reduce it to a master equation of the Pauli type. This describes desorption as a stochastic process in which the energy of the chemisorptive bond has random variations caused by the thermal fluctuations of the lattice atoms. Desorption occurs when the bond energy exceeds a certain value, placing the adsorbed particle in a continuum state of the surface-particle potential. The calculation of the rates of energy transfer includes multiphonon processes and allows transitions between all the bound levels of the adsorbed particle. Numerical calculations are presented in a subsequent paper.

AB - We derive the kinetic equations for a one-dimensional model of phonon-induced desorption. We start with a generalized master equation and discuss approximations that reduce it to a master equation of the Pauli type. This describes desorption as a stochastic process in which the energy of the chemisorptive bond has random variations caused by the thermal fluctuations of the lattice atoms. Desorption occurs when the bond energy exceeds a certain value, placing the adsorbed particle in a continuum state of the surface-particle potential. The calculation of the rates of energy transfer includes multiphonon processes and allows transitions between all the bound levels of the adsorbed particle. Numerical calculations are presented in a subsequent paper.

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JO - Journal of Chemical Physics

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A one-dimensional model for phonon-induced desorption

Abstract

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