Polarization of C60 by the surface electric field of GeS(001)

P. A. Gravil, Ph Lambin, G. Gensterblum, L. Henrard, P. Senet, A. A. Lucas

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

The polarisation of C60 molecules on GeS(001) by the static electric field generated by the surface ions has been calculated using a simple model for molecular polarization with a local anisotropic polarizability for each carbon atom. The resulting molecular dipole is of the appropriate magnitude to explain the difference between the experimental surface dipole, and the calculated surface induced dipole upon adsorption of the C60 molecule. However the results imply that the C60 molecules sit above the close-packed rows of Ge ions in the surface, not in the shallow troughs of the surface corrugation. This can be explained in terms of the observed delocalisation of the C60 electrons towards the surface resulting in an additional attraction (repulsion) of the molecule to the Ge cations (S anions) beyond the purely van der Waals interaction, which also accounts for the observed increased molecule-substrate bonding relative to the intermolecular bonding.

langue originaleAnglais
Pages (de - à)199-205
Nombre de pages7
journalSurface Science
Volume329
Numéro de publication3
Les DOIs
étatPublié - 20 mai 1995

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Electric fields
Polarization
electric fields
polarization
Molecules
molecules
dipoles
Ions
troughs
attraction
Anions
Cations
ions
Negative ions
Carbon
Positive ions
anions
Adsorption
cations
Atoms

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Gravil, P. A. ; Lambin, Ph ; Gensterblum, G. ; Henrard, L. ; Senet, P. ; Lucas, A. A. / Polarization of C60 by the surface electric field of GeS(001). Dans: Surface Science. 1995 ; Vol 329, Numéro 3. p. 199-205.
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abstract = "The polarisation of C60 molecules on GeS(001) by the static electric field generated by the surface ions has been calculated using a simple model for molecular polarization with a local anisotropic polarizability for each carbon atom. The resulting molecular dipole is of the appropriate magnitude to explain the difference between the experimental surface dipole, and the calculated surface induced dipole upon adsorption of the C60 molecule. However the results imply that the C60 molecules sit above the close-packed rows of Ge ions in the surface, not in the shallow troughs of the surface corrugation. This can be explained in terms of the observed delocalisation of the C60 electrons towards the surface resulting in an additional attraction (repulsion) of the molecule to the Ge cations (S anions) beyond the purely van der Waals interaction, which also accounts for the observed increased molecule-substrate bonding relative to the intermolecular bonding.",
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Polarization of C60 by the surface electric field of GeS(001). / Gravil, P. A.; Lambin, Ph; Gensterblum, G.; Henrard, L.; Senet, P.; Lucas, A. A.

Dans: Surface Science, Vol 329, Numéro 3, 20.05.1995, p. 199-205.

Résultats de recherche: Contribution à un journal/une revueArticle

TY - JOUR

T1 - Polarization of C60 by the surface electric field of GeS(001)

AU - Gravil, P. A.

AU - Lambin, Ph

AU - Gensterblum, G.

AU - Henrard, L.

AU - Senet, P.

AU - Lucas, A. A.

PY - 1995/5/20

Y1 - 1995/5/20

N2 - The polarisation of C60 molecules on GeS(001) by the static electric field generated by the surface ions has been calculated using a simple model for molecular polarization with a local anisotropic polarizability for each carbon atom. The resulting molecular dipole is of the appropriate magnitude to explain the difference between the experimental surface dipole, and the calculated surface induced dipole upon adsorption of the C60 molecule. However the results imply that the C60 molecules sit above the close-packed rows of Ge ions in the surface, not in the shallow troughs of the surface corrugation. This can be explained in terms of the observed delocalisation of the C60 electrons towards the surface resulting in an additional attraction (repulsion) of the molecule to the Ge cations (S anions) beyond the purely van der Waals interaction, which also accounts for the observed increased molecule-substrate bonding relative to the intermolecular bonding.

AB - The polarisation of C60 molecules on GeS(001) by the static electric field generated by the surface ions has been calculated using a simple model for molecular polarization with a local anisotropic polarizability for each carbon atom. The resulting molecular dipole is of the appropriate magnitude to explain the difference between the experimental surface dipole, and the calculated surface induced dipole upon adsorption of the C60 molecule. However the results imply that the C60 molecules sit above the close-packed rows of Ge ions in the surface, not in the shallow troughs of the surface corrugation. This can be explained in terms of the observed delocalisation of the C60 electrons towards the surface resulting in an additional attraction (repulsion) of the molecule to the Ge cations (S anions) beyond the purely van der Waals interaction, which also accounts for the observed increased molecule-substrate bonding relative to the intermolecular bonding.

KW - Fullerenes

KW - Germanium sulphide

KW - Low index single crystal surfaces

KW - Semi-empirical models and model calculations

KW - Surface electronic phenomena

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DO - 10.1016/0039-6028(95)00248-0

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