title: Calculation of the ionization potential of zinc and graphene phthalocyaninates on the surface of dielectrics
metadata.name: dc.contributor.author
metadata.value: Kuranov, Dmitry Yu.
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Andreeva, Tatiana A.
metadata.lang: -
metadata.name: dc.contributor.author
metadata.value: Bedrina, Marina E.
metadata.lang: -
metadata.name: dc.date.accessioned
metadata.value: 2022-06-23T13:17:11Z
metadata.lang: -
metadata.name: dc.date.available
metadata.value: 2022-06-23T13:17:11Z
metadata.lang: -
metadata.name: dc.date.issued
metadata.value: 2022-03
metadata.lang: -
metadata.name: dc.identifier.citation
metadata.value: Kuranov D. Yu., Andreeva T. A., Bedrina M. E. Calculation of the ionization potential of zinc and graphene phthalocyaninates on the surface of dielectrics. Vestnik of Saint Petersburg University. Applied Mathematics. Computer Science. Control Processes, 2022, vol. 18, iss. 1, pp. 52–62.
metadata.lang: en_GB
metadata.name: dc.identifier.other
metadata.value: https://doi.org/10.21638/11701/spbu10.2022.104
metadata.lang: -
metadata.name: dc.identifier.uri
metadata.value: http://hdl.handle.net/11701/36931
metadata.lang: -
metadata.name: dc.description.abstract
metadata.value: A mathematical model is proposed for calculating the ionization potentials of molecules on
  the surface of dielectrics in order to quantify changes in the electronic characteristics of materials
  on a substrate. The semiconductor and photoelectronic properties of nanosystems based
  on phthalocyanine derivatives are determined by the electronic structure of molecules. Based on the zinc phthalocyaninate molecule ZnC32N8H16, model structures are constructed that
  increase this molecule by attaching benzene rings ZnC48N8H24, ZnC64N8H32 and a model
  simulating the film structure of Zn4C120N32 H48. Graphene was considered as a nanostructure
  modeling a fragment of a monomer lm. The ionization potentials of these compounds
  on the surface of magnesium oxide, sodium chloride and silicon are calculated. In the presence
  of a substrate, the ionization potentials of all nanostructures decrease, while the values
  of the surface ionization potentials remain fundamentally dierent in their magnitude for all
  compounds. The compound ZnC64N8H32 sprayed onto the surface exhibits the best photoelectronic
  properties, its surface ionization potential is comparable to graphene.
metadata.lang: en_GB
metadata.name: dc.description.sponsorship
metadata.value: This work was supported by the Russian Foundation for Basic Research (project N 20-07-01086).
metadata.lang: en_GB
metadata.name: dc.language.iso
metadata.value: ru
metadata.lang: en_GB
metadata.name: dc.publisher
metadata.value: St Petersburg State University
metadata.lang: en_GB
metadata.name: dc.relation.ispartofseries
metadata.value: Vestnik of St Petersburg University. Applied Mathematics. Computer Science. Control Processes;Volume 18; Issue 1
metadata.lang: -
metadata.name: dc.subject
metadata.value: phthalocyanine zinc
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: graphene
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: structure
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: dielectric surface
metadata.lang: en_GB
metadata.name: dc.subject
metadata.value: ionization potential
metadata.lang: en_GB
metadata.name: dc.title
metadata.value: Calculation of the ionization potential of zinc and graphene phthalocyaninates on the surface of dielectrics
metadata.lang: en_GB
metadata.name: dc.type
metadata.value: Article
metadata.lang: en_GB
resources.filename: 52-62.pdf
resources.url: https://dspace.spbu.ru/bitstream/11701/36931/1/52-62.pdf
resources.format: Adobe PDF
resources.size: 708,58 kB