Spontaneous dissociation  of a conjugated molecule  on the Si(100) surface

Rong Lin; Michael Galili; Ulrich Quaade; Mads Brandbyge; Thomas Bjørnholm; A.D. Esposti; F. Biscarini; Kurt Stokbro

doi:10.1063/1.1480857

Spontaneous dissociation of a conjugated molecule on the Si(100) surface

Rong Lin, Michael Galili, Ulrich Quaade, Mads Brandbyge, Thomas Bjørnholm, A.D. Esposti, F. Biscarini, Kurt Stokbro

National Research Council of Italy

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Abstract

The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and dissociate into monomers. We observe two different configurations of the monomers and have discussed the corresponding adsorption geometries based on theoretical calculations. The calculations elucidate how the fragments are absorbed on the surface, giving rise to the observed STM images. With increasing coverage, the STM images show the existence of complete alpha-6T molecules. In addition, results of the adsorption behavior of alpha-6T molecules on the H-passivated Si(100)-(2x1) surface are reported. On this surface the molecules are highly mobile at room temperature due to the weak molecule-substrate interaction. The STM results also indicate that they can easily be anchored at the defect sites.

Original language	English
Journal	Journal of Chemical Physics
Volume	117
Issue number	1
Pages (from-to)	321-330
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.1480857
Publication status	Published - 2002

Bibliographical note

Copyright (2002) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Keywords

ELECTRONIC-STRUCTURE
FIELD-EFFECT TRANSISTOR
SILICON(001) SURFACE
ORGANIC MONOLAYERS
ATOMIC-FORCE MICROSCOPY
THERMAL-DESORPTION
ELECTRICAL CHARACTERISTICS
SEMIEMPIRICAL METHODS
SCANNING-TUNNELING-MICROSCOPY
ENERGY LOSS SPECTROSCOPY

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title = "Spontaneous dissociation of a conjugated molecule on the Si(100) surface",

abstract = "The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and dissociate into monomers. We observe two different configurations of the monomers and have discussed the corresponding adsorption geometries based on theoretical calculations. The calculations elucidate how the fragments are absorbed on the surface, giving rise to the observed STM images. With increasing coverage, the STM images show the existence of complete alpha-6T molecules. In addition, results of the adsorption behavior of alpha-6T molecules on the H-passivated Si(100)-(2x1) surface are reported. On this surface the molecules are highly mobile at room temperature due to the weak molecule-substrate interaction. The STM results also indicate that they can easily be anchored at the defect sites.",

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AU - Lin, Rong

AU - Galili, Michael

AU - Quaade, Ulrich

AU - Brandbyge, Mads

AU - Bjørnholm, Thomas

AU - Esposti, A.D.

AU - Biscarini, F.

AU - Stokbro, Kurt

N1 - Copyright (2002) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

PY - 2002

Y1 - 2002

N2 - The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and dissociate into monomers. We observe two different configurations of the monomers and have discussed the corresponding adsorption geometries based on theoretical calculations. The calculations elucidate how the fragments are absorbed on the surface, giving rise to the observed STM images. With increasing coverage, the STM images show the existence of complete alpha-6T molecules. In addition, results of the adsorption behavior of alpha-6T molecules on the H-passivated Si(100)-(2x1) surface are reported. On this surface the molecules are highly mobile at room temperature due to the weak molecule-substrate interaction. The STM results also indicate that they can easily be anchored at the defect sites.

AB - The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and dissociate into monomers. We observe two different configurations of the monomers and have discussed the corresponding adsorption geometries based on theoretical calculations. The calculations elucidate how the fragments are absorbed on the surface, giving rise to the observed STM images. With increasing coverage, the STM images show the existence of complete alpha-6T molecules. In addition, results of the adsorption behavior of alpha-6T molecules on the H-passivated Si(100)-(2x1) surface are reported. On this surface the molecules are highly mobile at room temperature due to the weak molecule-substrate interaction. The STM results also indicate that they can easily be anchored at the defect sites.

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KW - SEMIEMPIRICAL METHODS

KW - SCANNING-TUNNELING-MICROSCOPY

KW - ENERGY LOSS SPECTROSCOPY

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