• 文献标题:   Simulation of the Electronic Structure of Graphene-Polyvinylidene Fluoride Composite Material
  • 文献类型:   Article
  • 作  者:   GASANOV AG, BAYRAMOV AA
  • 作者关键词:  
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   War Coll Armed Forces Azerbaijan
  • 被引频次:   0
  • DOI:   10.1134/S1063783419010098
  • 出版年:   2019

▎ 摘  要

Theoretical models of shockproof composite materials based on two-layer graphenes and multilayer polyvinylidene fluoride C124H40 + n(H-(C2H2F2)(5)-H) (n = ) are constructed. The electronic structure is studied using the semiempirical PM3 method that is one of version of the molecular orbital method. The orbital energies, ionization potentials, total electron energies, strength, and other properties of the considered material are calculated based on the theoretical models. The outlooks for application of these materials in the military field for manufacturing superstrong and lightweight flak jackets are considered.