The Structure and Electronic Properties of Organic Semiconductors

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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.

Original languageEnglish
Title of host publication2015 International Conference on "Stability and Control Processes" in Memory of V.I. Zubov, SCP 2015 - Proceedings
EditorsLA Petrosyan, AP Zhabko
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages651-652
Number of pages2
ISBN (Print)9781467376983
DOIs
StatePublished - 2015
EventInternational Conference on "Stability and Control Processes" in Memory of V.I. Zubov, SCP 2015 - Петергоф, St. Petersburg, Russian Federation
Duration: 5 Oct 20159 Oct 2015
http://www.apmath.spbu.ru/scp2015/openconf.php

Conference

ConferenceInternational Conference on "Stability and Control Processes" in Memory of V.I. Zubov, SCP 2015
Abbreviated titleSCP 2015
CountryRussian Federation
CitySt. Petersburg
Period5/10/159/10/15
Internet address

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