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, Jean-Luc Bredas, T. C. Clarke, J. P. Rabe

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 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
DOIs
StatePublished - Apr 19 1993

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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