Semi-empirical investigation of adsorption process of atomic fluorine on the surface of monolayer pyrolized polyacrylonitrile

Author

Davletova, Olesya A. ; Zaporotskova, Irina V.

Author_Institution

Volgograd State Univ., Volgograd

fYear

2008

fDate

1-5 July 2008

Firstpage

49

Lastpage

51

Abstract

Quantum-chemical research of flourination of monolayer pyrolized polyacrylonitrile (PPAN). Influence of atoms of the fluorine adsorbed on a monolayer polymer, on geometry of system is executed, , the deformation of a surface caused by adatoms is investigated, designed energy of adsorption and activation are investigated. The calculation electronic structure and power characteristics has been done within the model of ion- embedded covalent-cyclic cluster (IE-CCC) of circuit MNDO.

Keywords

adsorption; deformation; electronic structure; monolayers; quantum chemistry; adsorption process; atomic fluorine; electronic structure; flourination; ion-embedded covalent-cyclic cluster; monolayer polymer; pyrolized polyacrylonitrile; quantum-chemical research; surface deformation; surface monolayer; Atomic layer deposition; Carbon compounds; Chemical elements; Chemical processes; Phase change materials; Plasma chemistry; Plasma materials processing; Plasma properties; Polymers; Quantum mechanics; ion-embedded covalent-cyclic cluster; polymer structures; quantum mechanical research;

fLanguage

English

Publisher

ieee

Conference_Titel

Electron Devices and Materials, 2008. EDM 2008. 9th International Workshop and Tutorials on

Conference_Location

Novosibirsk

ISSN

1815-3712

Print_ISBN

978-5-7782-0893-3

Type

conf

DOI

10.1109/SIBEDM.2008.4585844

Filename

4585844