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Molecular dynamics simulation of C 60 encapsulated in boron nitride nanotubes
Author(s) -
Moon Won Ha,
Son Myung Sik,
Lee Jun Ha,
Hwang Ho Jung
Publication year - 2004
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200490011
Subject(s) - boron nitride , molecular dynamics , nanotube , materials science , nanotechnology , adsorption , colored , boron , molecule , fullerene , nitride , chemical physics , carbon nanotube , computational chemistry , chemistry , composite material , layer (electronics) , organic chemistry
This issue's Editor's Choice [1] reports molecular dynamics investigations of the encapsulation of fullerene molecules in boron nitride nanotubes, a hybrid system with large potential for various materials applications. The cover picture shows possible positions for the diffusion of C 60 into the BN nanotube. The light colored C 60 (I–III) can be encapsulated in the tube. The yellow colored C 60 (IV) with some atoms located above the tube wall, however, is quickly adsorbed and moves on the surface of the tube. The dark line hence indicates the border for diffusion. The corresponding author Ho Jung Hwang is Professor of Electrical and Electronic Engineering and Dean of the College of Engineering at Chung‐Ang University, Seoul, Korea. His main interests are in semiconductor technology, process/equipment simulation, nanotechnology, and nanosimulation.