Open AccessMolecular dynamics simulation of formation of silicon nanoparticles on surfaces of carbon nanotubes
Author(s) -
Lijun Meng,
Kaiwang Zhang,
Jianxin Zhong
Publication year - 2007
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.56.1009
Subject(s) - carbon nanotube , materials science , nanotube , nanoparticle , silicon , molecular dynamics , nanotechnology , substrate (aquarium) , amorphous solid , carbon nanotube quantum dot , chemical physics , chemical engineering , computational chemistry , optoelectronics , crystallography , chemistry , oceanography , geology , engineering
In this paper, we have studied the formation of silicon nanoparticles on surfaces of carbon nanotubes by molecular dynamics simulation. We found that, due to the Si-nanotube interaction and the enormous curvatures of carbon nanotubes, Si atoms on the surface of a carbon nanotube prefer to form a three-dimensional nanoparticle rather than a thin film covering the nanotube.Small Si nanoparticles have similar atomic structures as are found in Si nanoparticles grown without any substrate.Large Si nanoparticles are elongated in the axial direction of the nanotube and have amorphous network structures of Sidifferent from the crystalline structure of Si nanoparticles without considering Si-nanotube interaction.