• 文献标题:   The Uniqueness of Physical and Chemical Natures of Graphene: Their Coherence and Conflicts
  • 文献类型:   Article
  • 作  者:   SHEKA EF
  • 作者关键词:   molecular theory of grapheme, odd electron, electron correlation, effectively unpaired electron, graphene, chemical modification, deformation
  • 出版物名称:   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  • ISSN:   0020-7608 EI 1097-461X
  • 通讯作者地址:   Peoples Friendship Univ Russia
  • 被引频次:   14
  • DOI:   10.1002/qua.24673
  • 出版年:   2014

▎ 摘  要

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.