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Quantum Calculations of Carbon Nanotube Charging and Capacitance

Published online by Cambridge University Press:  01 February 2011

Pawel Pomorski ,
Lars Pastewka ,
Christopher Roland ,
Hong Guo  and
Jian Wang
Pawel Pomorski
Affiliation:
Department of Physics, NC State University, Raleigh, NC USA 27695–8202.
Lars Pastewka
Affiliation:
Department of Physics, NC State University, Raleigh, NC USA 27695–8202.
Christopher Roland
Affiliation:
Department of Physics, NC State University, Raleigh, NC USA 27695–8202.
Hong Guo
Affiliation:
Department of Physics, McGill University, Montreal PQ, Canada H3A 2T8
Jian Wang
Affiliation:
Department of Physics, The University of Hong Kong, Pokfulam Road, Hong Kong
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Abstract

Although it has long been known that the classical notions of capacitance are altered at the nanoscale, few first principles calculations of these properties exist for real material systems. With a recently developed ab initio formalism, which combines nonequilibrium Greens function techniques with real-space density functional calculations, we have investigated charging effects for carbon nanotube systems, which are described by the capacitance coefficients. Specifically, the capacitance matrix of two nested nanotube armchair nanotubes, the insertion of one nanotube into another, and the properties of a nanotube acting as a probe over a flat aluminum surface were considered.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 789 , 2003 , N3.6
Copyright
Copyright © Materials Research Society 2004

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References

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