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Structural Properties of Potassium Encapsulated in Carbon Nanotubes

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Abstract:

We have investigated structural phases of potassium in carbon nanotubes using a structural optimization process applied to an atomistic simulation method. As the radius of the carbon nanotubes is increased, various structural phases ranging from an atomic strand to multi-shell packs composed of coaxial cylindrical shells and helical, layered, and crystalline structures are found to emerge. Numbers of helical atom rows composed of coaxial tubes and orthogonal vectors of a circular rolling of a triangular network can explain multi-shell phases of potassium in carbon nanotubes.

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Periodical:

Key Engineering Materials (Volumes 277-279)

Pages:

919-928

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.277-279.919

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Online since:

January 2005

Authors:

Mi Young Lee, Ho Jung Hwang, Jun Ha Lee, Hoong Joo Lee, Jeong Won Kang

Keywords:

Atomistic Simulation, Carbon Nanotube (CN), Encapsulated Ultra-Thin Potassium Nanowires, Molecular Dynamic (MD)

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© 2005 Trans Tech Publications Ltd. All Rights Reserved

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