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Nanosystems: Physics, Chemistry, Mathematics, 2012, Volume 3, Issue 6, Pages 70–74
(Mi nano718)
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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.
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
Linking options:
https://www.mathnet.ru/eng/nano718 https://www.mathnet.ru/eng/nano/v3/i6/p70
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