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

Research output: Contribution to journalConference articlepeer-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 languageEnglish (US)
Pages (from-to)4365-4370
Number of pages6
JournalSynthetic Metals
Volume57
Issue number2 -3 pt 6
StatePublished - Jan 1 1993
Externally publishedYes
EventProceedings of the International Conferece on Science and Technology of Synthetic Metals - Goteborg, Swed
Duration: Aug 12 1992Aug 18 1992

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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