Enumeration of conjugated circuits in graphite

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Abstract

According to Zhu et al.1 the resonance energy/electron (REPE) in infinite graphite sheets is equal to 0.17 eV. In the present work the REPE was calculated for parallelogram-shaped graphite sheets (PSGSs). The number of benzene-like and naphthalene-like conjugated circuits were taken into account. Analogously to polyacenes, it was found that REPE = 0.00 eV in PSGSs. The convergence is slow. These results indicate that PSGS is less "aromatic" than its infinite counterpart. Therefore addition reactions are expected to be less difficult to carry out in PSGSs than in infinite or rectangular graphite sheets.

Original languageEnglish
Pages67-70
Number of pages4
Publication statusPublished - Jan 1 2004
Event27th International Semiconductor Conference, CAS 2004 - Sinaia, Romania
Duration: Oct 4 2004Oct 6 2004

Other

Other27th International Semiconductor Conference, CAS 2004
CountryRomania
CitySinaia
Period10/4/0410/6/04

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

Cite this

Lukovits, I., Diudea, M., & Kálmán, E. (2004). Enumeration of conjugated circuits in graphite. 67-70. Paper presented at 27th International Semiconductor Conference, CAS 2004, Sinaia, Romania.