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. Bredas; T. C. Clarke; J. P. Rabe

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. Bredas, T. C. Clarke, J. P. Rabe

^*Corresponding author for this work

Research output: Contribution to journal › Conference article › peer-review

4 Scopus citations

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 pt 6
State	Published - Jan 1 1993
Externally published	Yes
Event	Proceedings of the International Conferece on Science and Technology of Synthetic Metals - Goteborg, Swed Duration: Aug 12 1992 → Aug 18 1992

ASJC Scopus subject areas

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

Cite this

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title = "Quantum chemical investigation of the interaction of organic molecules and polymers with graphite. Comparison with the STM imaging of organic adsorbates",

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 Bredas, {J. L.} and Clarke, {T. C.} and Rabe, {J. P.}",

year = "1993",

month = jan,

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language = "English (US)",

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pages = "4365--4370",

journal = "Synthetic Metals",

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note = "Proceedings of the International Conferece on Science and Technology of Synthetic Metals ; Conference date: 12-08-1992 Through 18-08-1992",

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TY - JOUR

T1 - Quantum chemical investigation of the interaction of organic molecules and polymers with graphite. Comparison with the STM imaging of organic adsorbates

AU - Lambin, G.

AU - Delvaux, M. H.

AU - Calderone, A.

AU - Lazzaroni, R.

AU - Bredas, J. L.

AU - Clarke, T. C.

AU - Rabe, J. P.

PY - 1993/1/1

Y1 - 1993/1/1

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.

UR - http://www.scopus.com/inward/record.url?scp=0027579655&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0027579655

SN - 0379-6779

VL - 57

SP - 4365

EP - 4370

JO - Synthetic Metals

JF - Synthetic Metals

IS - 2 -3 pt 6

T2 - Proceedings of the International Conferece on Science and Technology of Synthetic Metals

Y2 - 12 August 1992 through 18 August 1992

ER -

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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