Line growth on the H/Si(100)-2 × 1 surface: Density functional study of allylic mercaptan reaction mechanisms

Glen Allen Ferguson; Christopher Trong Linh Than; Krishnan Raghavachari

doi:10.1021/jp906955g

Line growth on the H/Si(100)-2 × 1 surface: Density functional study of allylic mercaptan reaction mechanisms

Glen Allen Ferguson, Christopher Trong Linh Than, Krishnan Raghavachari

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

8 Scopus citations

Abstract

The growth of molecular lines on the Si(100)-2 × 1 surface is an area of intense interest due to its possible application to the microelectronics industry. While many molecules have been found to grow along dimer rows of the Si(100)-2 × 1 surface, only allylic mercaptan (ALM) has been shown to grow exclusively across dimer rows. In this work, we compare several possible mechanisms for line growth across silicon dimer rows. We conclude that a reaction mechanism starting from a branched carbon radical adsorbed on the surface and ending with an interdimer bridged structure is the most probable mechanism for initial ALM reactivity.

Original language	English (US)
Pages (from-to)	18817-18822
Number of pages	6
Journal	Journal of Physical Chemistry C
Volume	113
Issue number	43
DOIs	https://doi.org/10.1021/jp906955g
State	Published - 2009
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
General Energy
Physical and Theoretical Chemistry
Surfaces, Coatings and Films

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title = "Line growth on the H/Si(100)-2 × 1 surface: Density functional study of allylic mercaptan reaction mechanisms",

abstract = "The growth of molecular lines on the Si(100)-2 × 1 surface is an area of intense interest due to its possible application to the microelectronics industry. While many molecules have been found to grow along dimer rows of the Si(100)-2 × 1 surface, only allylic mercaptan (ALM) has been shown to grow exclusively across dimer rows. In this work, we compare several possible mechanisms for line growth across silicon dimer rows. We conclude that a reaction mechanism starting from a branched carbon radical adsorbed on the surface and ending with an interdimer bridged structure is the most probable mechanism for initial ALM reactivity.",

author = "Ferguson, {Glen Allen} and Than, {Christopher Trong Linh} and Krishnan Raghavachari",

year = "2009",

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T1 - Line growth on the H/Si(100)-2 × 1 surface

T2 - Density functional study of allylic mercaptan reaction mechanisms

AU - Ferguson, Glen Allen

AU - Than, Christopher Trong Linh

AU - Raghavachari, Krishnan

PY - 2009

Y1 - 2009

N2 - The growth of molecular lines on the Si(100)-2 × 1 surface is an area of intense interest due to its possible application to the microelectronics industry. While many molecules have been found to grow along dimer rows of the Si(100)-2 × 1 surface, only allylic mercaptan (ALM) has been shown to grow exclusively across dimer rows. In this work, we compare several possible mechanisms for line growth across silicon dimer rows. We conclude that a reaction mechanism starting from a branched carbon radical adsorbed on the surface and ending with an interdimer bridged structure is the most probable mechanism for initial ALM reactivity.

AB - The growth of molecular lines on the Si(100)-2 × 1 surface is an area of intense interest due to its possible application to the microelectronics industry. While many molecules have been found to grow along dimer rows of the Si(100)-2 × 1 surface, only allylic mercaptan (ALM) has been shown to grow exclusively across dimer rows. In this work, we compare several possible mechanisms for line growth across silicon dimer rows. We conclude that a reaction mechanism starting from a branched carbon radical adsorbed on the surface and ending with an interdimer bridged structure is the most probable mechanism for initial ALM reactivity.

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JF - Journal of Physical Chemistry C

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ER -

Line growth on the H/Si(100)-2 × 1 surface: Density functional study of allylic mercaptan reaction mechanisms

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