Title :
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
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;
Conference_Titel :
Electron Devices and Materials, 2008. EDM 2008. 9th International Workshop and Tutorials on
Conference_Location :
Novosibirsk
Print_ISBN :
978-5-7782-0893-3
DOI :
10.1109/SIBEDM.2008.4585844
