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Title: Small Si clusters on surfaces of carbon nanotubes

Abstract

Structures of small Si clusters, Sin, on surfaces of carbon nanotubes have been studied by molecular dynamics simulation. We show that the lowest-energy structures of Sin are three-dimensional clusters rather than thin Si sheets covering the surface of a nanotube. As n increases from 10 to 30, Sin undergoes structural transitions from a tent-like structure (with nanotube surface as its base) to a cage-like structure (without interior atoms) and further to a spherical compact structure (with interior atoms). Our results are different from the structures of small Si clusters found in a free space without Si-nanotube interaction.

Authors:
 [1];  [2];  [3];  [3]
+ Show Author Affiliations
  1. unknown
  2. Xiangtan University, Xiangtan Hunan, China
  3. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
931711
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 100; Journal Issue: 12
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 77 NANOSCIENCE AND NANOTECHNOLOGY; CARBON; NANOTUBES; SILICON; MOLECULAR CLUSTERS; SURFACE PROPERTIES; MOLECULAR DYNAMICS METHOD; MORPHOLOGICAL CHANGES; silicon; nanoparticle; carbon nanotube

Citation Formats

Meng, Lijun, Zhang, Kaiwang, Stocks, George Malcolm, and Zhong, Jianxin. Small Si clusters on surfaces of carbon nanotubes. United States: N. p., 2006. Web. doi:10.1063/1.2405133.
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Meng, Lijun, Zhang, Kaiwang, Stocks, George Malcolm, & Zhong, Jianxin. Small Si clusters on surfaces of carbon nanotubes. United States. doi:10.1063/1.2405133.
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Meng, Lijun, Zhang, Kaiwang, Stocks, George Malcolm, and Zhong, Jianxin. Sun . "Small Si clusters on surfaces of carbon nanotubes". United States. doi:10.1063/1.2405133.
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@article{osti_931711,
title = {Small Si clusters on surfaces of carbon nanotubes},
author = {Meng, Lijun and Zhang, Kaiwang and Stocks, George Malcolm and Zhong, Jianxin},
abstractNote = {Structures of small Si clusters, Sin, on surfaces of carbon nanotubes have been studied by molecular dynamics simulation. We show that the lowest-energy structures of Sin are three-dimensional clusters rather than thin Si sheets covering the surface of a nanotube. As n increases from 10 to 30, Sin undergoes structural transitions from a tent-like structure (with nanotube surface as its base) to a cage-like structure (without interior atoms) and further to a spherical compact structure (with interior atoms). Our results are different from the structures of small Si clusters found in a free space without Si-nanotube interaction.},
doi = {10.1063/1.2405133},
journal = {Journal of Applied Physics},
number = 12,
volume = 100,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2006},
month = {Sun Jan 01 00:00:00 EST 2006}
}
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Journal Article:
DOI:  10.1063/1.2405133
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