• DocumentCode
    3701531
  • Title

    The structure and electronic properties of organic semiconductors

  • Author

    Dmitriy Y. Kuranov;Marina E. Bedrina;Nikolai V. Egorov

  • Author_Institution
    St. Peterburg State University, 7/9 Universitetskaya nab., 199034, Russia
  • fYear
    2015
  • Firstpage
    651
  • Lastpage
    652
  • Abstract
    In work the electronic structure of thin films of metal-containing organic substances-porphyrins, phthalocyanines and graphene-is investigated. Using the method of density functional theory B3LYP/6-31G, PBE0/6-311G** in software package GAUSSIAN 09 we calculated interatomic distances and angles, the electronic energy levels and the ionization potentials of all compounds. Computed values of the physical characteristics of all systems are in good agreement with the experimental values and supplement them.
  • Keywords
    "Ionization","Zinc","Graphene","Electric potential","Computers","Electronic mail","Density functional theory"
  • Publisher
    ieee
  • Conference_Titel
    "Stability and Control Processes" in Memory of V.I. Zubov (SCP), 2015 International Conference
  • Type

    conf

  • DOI
    10.1109/SCP.2015.7342233
  • Filename
    7342233
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=3701531