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Journal article

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

From

Department of Micro- and Nanotechnology, Technical University of Denmark1

Theoretical Nanoelectronics Group, Theory Section, Department of Micro- and Nanotechnology, Technical University of Denmark2

Theory Section, Department of Micro- and Nanotechnology, Technical University of Denmark3

National Research Council of Italy4

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.

Language: English
Publisher: American Institute of Physics
Year: 2002
Pages: 321-330
ISSN: 10897690 and 00219606
Types: Journal article
DOI: 10.1063/1.1480857
ORCIDs: 0000-0002-8908-1657 , Galili, Michael and Brandbyge, Mads

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