Enumeration of conjugated circuits in graphite

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

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
Title of host publicationProceedings of the International Semiconductor Conference, CAS
Pages67-70
Number of pages4
Volume1
Publication statusPublished - 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

Fingerprint

Graphite
Networks (circuits)
Aromatic polymers
Addition reactions
Naphthalene
Benzene
Electrons

ASJC Scopus subject areas

  • Engineering(all)

Cite this

Lukovits, I., Diudea, M., & Kálmán, E. (2004). Enumeration of conjugated circuits in graphite. In Proceedings of the International Semiconductor Conference, CAS (Vol. 1, pp. 67-70). [N1.3]

Enumeration of conjugated circuits in graphite. / Lukovits, I.; Diudea, M.; Kálmán, E.

Proceedings of the International Semiconductor Conference, CAS. Vol. 1 2004. p. 67-70 N1.3.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Lukovits, I, Diudea, M & Kálmán, E 2004, Enumeration of conjugated circuits in graphite. in Proceedings of the International Semiconductor Conference, CAS. vol. 1, N1.3, pp. 67-70, 27th International Semiconductor Conference, CAS 2004, Sinaia, Romania, 10/4/04.
Lukovits I, Diudea M, Kálmán E. Enumeration of conjugated circuits in graphite. In Proceedings of the International Semiconductor Conference, CAS. Vol. 1. 2004. p. 67-70. N1.3
Lukovits, I. ; Diudea, M. ; Kálmán, E. / Enumeration of conjugated circuits in graphite. Proceedings of the International Semiconductor Conference, CAS. Vol. 1 2004. pp. 67-70
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