Adiabatic and vertical ionization potentials of single-walled carbon nanotubes
Abstract
In this work, vertical and adiabatic ionization potentials of model single-walled 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.
About the Authors
I. K. Petrushenko
Irkutsk State Technical University, Physical and Technical Institute
Russian Federation
Russian Federation
Petrushenko Igor, engineer, PhD in chemistry
Personal address 664046, Pogranichniy lane 6-4, Irkutsk, Russia
Home phone number +7 (3952) 700-623
Work phone number +7 (3952) 405-903
Mobile phone number +79021718345
N. A. Ivanov
Irkutsk State Technical University, Physical and Technical Institute
Russian Federation
Russian Federation
Ivanov Nikolay, Director, PhD in physics, associate professor
Work phone number +7 (3952) 405-903
Mobile phone number +7 (3952) 60-77-31
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Review
For citations:
Petrushenko I.K., Ivanov N.A. Adiabatic and vertical ionization potentials of single-walled carbon nanotubes. Nanosystems: Physics, Chemistry, Mathematics. 2012;3(6):70-74. (In Russ.)
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