Journal
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 114, Issue 16, Pages 1079-1095Publisher
WILEY-BLACKWELL
DOI: 10.1002/qua.24673
Keywords
molecular theory of grapheme; odd electrons; electron correlation; effectively unpaired electrons; graphene; chemical modification; deformation
Ask authors/readers for more resources
Molecular-crystalline duality of graphene ensures a tight alliance of its physical and chemical natures, each of which is unique in its own way. The article examines the physicalchemical harmony and/or confrontation in terms of the molecular theory of graphene. Chemistry that is consistent with graphene physics expectations involves: small mass of carbon atoms, which provides a lightweight material; sp 2 configuration of the atoms valence electrons, ensuring a flat twodimensional structure of condensed benzenoid units; high strength of CAC valence bonds responsible for exclusive mechanical strength. Chemistry that is in conflict with graphene physics expectations covers: radical character of graphene material; collective character of electronic system of graphene, preventing from localization of its response on any external impact; the molecular nature and topochemical character of graphene mechanics; the molecular nature of graphene magnetism. Each of the properties is a direct consequence of the odd electron correlation, on one hand, and ensures a high instability of graphene material, on the other. Electron correlation inhibition by deposition of graphene monolayers on substrates is seen as a promising way to solve the problem. (C) 2014 Wiley Periodicals, Inc.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available