Exotic Allotropes of Carbon

  • Mircea V. Diudea
  • Beata Szefler
  • Csaba L. Nagy
  • Attila Bende
Chapter
Part of the Carbon Materials: Chemistry and Physics book series (CMCP, volume 8)

Abstract

Carbon allotropes, including triple-, double-, and single periodic, and finite non-periodic, nanostructures have been designed by using map operations and their topological and energetic properties studied. Two allotropes of the diamond D5 are discussed in this chapter: the dense hyper-diamond, with an “anti”-diamantane structure, and a quasi-diamond, which is a five-fold symmetry quasicrystal with “syn”-diamantane structure. Some substructures of these allotropes are proposed as possible intermediates in the synthesis of some hyper-graphenes and their energetics evaluated at Hartree-Fock, DFT (B3LYP) and DFTB levels of theory. A topological description of D5_anti network and derived hyper-graphenes, in terms of the net parameter and Omega polynomial, is also given.

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Copyright information

© Springer Science+Business Media Dordrecht 2015

Authors and Affiliations

  • Mircea V. Diudea
    • 1
  • Beata Szefler
    • 2
  • Csaba L. Nagy
    • 1
  • Attila Bende
    • 3
  1. 1.Faculty of Chemistry and Chemical EngineeringBabes-Bolyai UniversityCluj-NapocaRomania
  2. 2.Department of Physical Chemistry, Collegium MedicumNicolaus Copernicus UniversityBydgoszczPoland
  3. 3.Molecular and Biomolecular Physics DepartmentNational Institute for R&D of Isotopic and Molecular TechnologiesCluj-NapocaRomania

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