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Nanosystems: Physics, Chemistry, Mathematics, 2012, Volume 3, Issue 6, Pages 70–74 (Mi nano718)  

PHYSICS

Adiabatic and vertical ionization potentials of single-walled carbon nanotubes

I. K. Petrushenko, N. A. Ivanov

Irkutsk State Technical University
Abstract: Vertical and adiabatic ionization potentials of a model of single-wall carbon nanotubes (SWNT) were calculated by the DFT method. The changes of ionization potentials of structures with various lengths and diameters were analyzed. Geometry changes of SWNTs with various lengths upon ionization were revealed.
Keywords: SWNT, ionization potential, DFT, BP86.
Bibliographic databases:
Document Type: Article
UDC: 544.15, 544.18
PACS: 03.67.Lx, 31.15.E, 61.48.De
Language: Russian
Citation: I. K. Petrushenko, N. A. Ivanov, “Adiabatic and vertical ionization potentials of single-walled carbon nanotubes”, Nanosystems: Physics, Chemistry, Mathematics, 3:6 (2012), 70–74
Citation in format AMSBIB
\Bibitem{PetIva12}
\by I.~K.~Petrushenko, N.~A.~Ivanov
\paper Adiabatic and vertical ionization potentials of single-walled carbon nanotubes
\jour Nanosystems: Physics, Chemistry, Mathematics
\yr 2012
\vol 3
\issue 6
\pages 70--74
\mathnet{http://mi.mathnet.ru/nano718}
\elib{https://elibrary.ru/item.asp?id=18278463}
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