Journal ArticleDOI
Theoretical studies of icosahedral C60 and some related species
Anthony J. Stone,David J. Wales +1 more
TLDR
There are many stable C60 structures other than the icosahedral one proposed by Kroto, Heath, O'Brien, Curl and Smalley as discussed by the authors, and the observed C60 mass peak is likely to arise from a mixture of isomers.Citations
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Journal ArticleDOI
Raman Spectra of Graphite Oxide and Functionalized Graphene Sheets
Konstantin N. Kudin,Bulent Ozbas,Hannes C. Schniepp,Robert K. Prud'homme,Ilhan A. Aksay,Roberto Car +5 more
TL;DR: Only the alternating pattern of single-double carbon bonds within the sp2 carbon ribbons provides a satisfactory explanation for the experimentally observed blue shift of the G band of the Raman spectra relative to graphite.
Journal ArticleDOI
Structural defects in graphene
TL;DR: In this article, the present knowledge about point and line defects in graphene are reviewed and particular emphasis is put on the unique ability of graphene to reconstruct its lattice around intrinsic defects, leading to interesting effects and potential applications.
Journal ArticleDOI
Thermal conductivity of carbon nanotubes and their polymer nanocomposites: A review
Zhidong Han,Alberto Fina +1 more
TL;DR: In this article, the status of worldwide research in the thermal conductivity of carbon nanotubes and their polymer nanocomposites is reviewed, as well as the relationship between thermal conductivities and the micro- and nano-structure of the composites.
Journal ArticleDOI
Formation of polycyclic aromatic hydrocarbons and their growth to soot—a review of chemical reaction pathways
Henning Richter,Jack B. Howard +1 more
TL;DR: In this paper, a general scheme of polycyclic aromatic hydrocarbons (PAH) formation and sequential growth of PAH by reactions with stable and radical species, including single-ring aromatics, other PAH and acetylene, is discussed.
References
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Journal ArticleDOI
C 60 : Buckminsterfullerene
Harold W. Kroto,Harold W. Kroto,James R. Heath,Sean C. O'Brien,Robert F. Curl,Richard E. Smalley +5 more
TL;DR: In this article, the authors proposed a truncated icosahedron, a polygon with 60 vertices and 32 faces, 12 of which are pentagonal and 20 hexagonal.
Journal ArticleDOI
Electronic structure and bonding in icosahedral C60
TL;DR: In this article, the Huckel molecular orbital theory for nonplanar conjugated organic molecules has been applied to study the electronic structure and properties of the proposed icosahedral geometry of C60.
Journal ArticleDOI
Electronic structure and bonding in methyl- and perfluoromethyl(pentacarbonyl)manganese
Journal ArticleDOI
Spectral analysis of graphs by cyclic automorphism subgroups
TL;DR: In this article, the theory of spectral decomposition modulo subgroups of the graph automorphism group is extended to cyclic configurations of arbitrary rotational order, and it is shown that the spectrum of eigenvalues of many prominent molecular and non-molecular families devolves to consideration of a single monomer-derived reduction network.
Journal ArticleDOI
C120 and C60: Archimedean solids constructed from sp2 hybridized carbon atoms
TL;DR: Theoretical evidence for the stability of C 120 and C 60 molecules consisting of sp 2 hybridized carbon atoms only was presented in this article, where simple Huckel molecular orbital calculations showed that there is a large, stabilizing, delocalization energy.