Is graphene aromatic? View Full Text


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Article Info

DATE

2011-12-24

AUTHORS

Ivan A. Popov, Konstantin V. Bozhenko, Alexander I. Boldyrev

ABSTRACT

We analyze the chemical bonding in graphene using a fragmental approach, the adaptive natural density partitioning method, electron sharing indices, and nucleus-independent chemical shift indices. We prove that graphene is aromatic, but its aromaticity is different from the aromaticity in benzene, coronene, or circumcoronene. Aromaticity in graphene is local with two π-electrons delocalized over every hexagon ring. We believe that the chemical bonding picture developed for graphene will be helpful for understanding chemical bonding in defects such as point defects, single-, double-, and multiple vacancies, carbon adatoms, foreign adatoms, substitutional impurities, and new materials that are derivatives of graphene. More... »

PAGES

117-123

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s12274-011-0192-z

DOI

http://dx.doi.org/10.1007/s12274-011-0192-z

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1016360329


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