A quantum chemical investigation of the interaction of organic molecules and polymers with graphite. Comparison with the STM imaging of organic adsorbates

G. Lambin; M. H. Delvaux; A. Calderone; R. Lazzaroni; J. L. Brédas; T. C. Clarke; J. P. Rabe

doi:10.1016/0379-6779(93)90751-H

A quantum chemical investigation of the interaction of organic molecules and polymers with graphite. Comparison with the STM imaging of organic adsorbates

G. Lambin^*, M. H. Delvaux, A. Calderone, R. Lazzaroni, J. L. Brédas, T. C. Clarke, J. P. Rabe

^*Corresponding author for this work

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

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Abstract

We investigate the adsorption of organic molecules and polymers onto the graphite surface with a quantum chemical approach. For this purpose, we study the geometry, the energetics and the electronic structure in a series of model systems, consisting of small molecules (CH₄, H₂O, H₂S, CF₄, benzene) interacting with one benzene molecule. Our results are interpreted in the framework of the STM imaging of organic molecules and polymers on graphite substrates.

Original language	English (US)
Pages (from-to)	4365-4370
Number of pages	6
Journal	Synthetic Metals
Volume	57
Issue number	2-3
DOIs	https://doi.org/10.1016/0379-6779(93)90751-H
State	Published - Apr 19 1993
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/0379-6779(93)90751-H

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abstract = "We investigate the adsorption of organic molecules and polymers onto the graphite surface with a quantum chemical approach. For this purpose, we study the geometry, the energetics and the electronic structure in a series of model systems, consisting of small molecules (CH4, H2O, H2S, CF4, benzene) interacting with one benzene molecule. Our results are interpreted in the framework of the STM imaging of organic molecules and polymers on graphite substrates.",

author = "G. Lambin and Delvaux, {M. H.} and A. Calderone and R. Lazzaroni and Br{\'e}das, {J. L.} and Clarke, {T. C.} and Rabe, {J. P.}",

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AU - Lambin, G.

AU - Delvaux, M. H.

AU - Calderone, A.

AU - Lazzaroni, R.

AU - Brédas, J. L.

AU - Clarke, T. C.

AU - Rabe, J. P.

PY - 1993/4/19

Y1 - 1993/4/19

N2 - We investigate the adsorption of organic molecules and polymers onto the graphite surface with a quantum chemical approach. For this purpose, we study the geometry, the energetics and the electronic structure in a series of model systems, consisting of small molecules (CH4, H2O, H2S, CF4, benzene) interacting with one benzene molecule. Our results are interpreted in the framework of the STM imaging of organic molecules and polymers on graphite substrates.

AB - We investigate the adsorption of organic molecules and polymers onto the graphite surface with a quantum chemical approach. For this purpose, we study the geometry, the energetics and the electronic structure in a series of model systems, consisting of small molecules (CH4, H2O, H2S, CF4, benzene) interacting with one benzene molecule. Our results are interpreted in the framework of the STM imaging of organic molecules and polymers on graphite substrates.

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U2 - 10.1016/0379-6779(93)90751-H

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A quantum chemical investigation of the interaction of organic molecules and polymers with graphite. Comparison with the STM imaging of organic adsorbates

Abstract

ASJC Scopus subject areas

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