Diffusion of a butanethiolate molecule on a Au{111} surface

Rachel Mahaffy; Reena Bhatia; Barbara J. Garrison

doi:10.1021/jp962281w

Diffusion of a butanethiolate molecule on a Au{111} surface

Rachel Mahaffy, Reena Bhatia, Barbara J. Garrison

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

78 Scopus citations

Abstract

The diffusion of a butanethiolate molecule on a Au{111} surface has been modeled by molecular dynamics simulations. We find that internal chain motion enhances diffusion over that of a heavy atom of the same mass.

Original language	English (US)
Pages (from-to)	771-773
Number of pages	3
Journal	Journal of Physical Chemistry B
Volume	101
Issue number	5
DOIs	https://doi.org/10.1021/jp962281w
State	Published - Jan 30 1997

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Surfaces, Coatings and Films
Materials Chemistry

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title = "Diffusion of a butanethiolate molecule on a Au{111} surface",

abstract = "The diffusion of a butanethiolate molecule on a Au{111} surface has been modeled by molecular dynamics simulations. We find that internal chain motion enhances diffusion over that of a heavy atom of the same mass.",

author = "Rachel Mahaffy and Reena Bhatia and Garrison, {Barbara J.}",

year = "1997",

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T1 - Diffusion of a butanethiolate molecule on a Au{111} surface

AU - Mahaffy, Rachel

AU - Bhatia, Reena

AU - Garrison, Barbara J.

PY - 1997/1/30

Y1 - 1997/1/30

N2 - The diffusion of a butanethiolate molecule on a Au{111} surface has been modeled by molecular dynamics simulations. We find that internal chain motion enhances diffusion over that of a heavy atom of the same mass.

AB - The diffusion of a butanethiolate molecule on a Au{111} surface has been modeled by molecular dynamics simulations. We find that internal chain motion enhances diffusion over that of a heavy atom of the same mass.

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U2 - 10.1021/jp962281w

DO - 10.1021/jp962281w

M3 - Article

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JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 5

ER -

Diffusion of a butanethiolate molecule on a Au{111} surface

Abstract

All Science Journal Classification (ASJC) codes

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