2009年
Computational Exploration of Novel Silicon Nanostructures
ULIS 2009: 10TH INTERNATIONAL CONFERENCE ON ULTIMATE INTEGRATION OF SILICON
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- 開始ページ
- 61
- 終了ページ
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- 記述言語
- 英語
- 掲載種別
- 研究論文(国際会議プロシーディングス)
- DOI
- 10.1109/ULIS.2009.4897539
- 出版者・発行元
- IEEE
Discovery of novel Si nanostructures would open up a new avenue for science and technology as the discoveries of C-60 and carbon nanotubes did. With this expectation, we have explored novel Si nanostructures by combining empirical molecular-dynamics simulations and structure optimizations with the density functional theory(1,2,3,4). Our molecular-dynamics simulations demonstrate (1) an icosahedral Si nanodot forms by freezing a droplet in vacuum(1), (2) Si-fullerene-linked nanowires, such as Si-16- and Si-20-linked nanowires, form by freezing liquid Si inside carbon nanotubes(2), and (3) a polyicosahedral Si nanowire forms by freezing liquid Si inside a cylindrical nanopore(3). The unique cage structure of the polyicosahedral Si nanowire allows us to tune the electronic properties by encapsulating guest atoms into its cages. Our density functional theory calculations reveal that a semiconducting hydrogen-terminated polyicosahedral Si nanowire becomes metallic by the sodium and iodine doping(4).
- リンク情報
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- DOI
- https://doi.org/10.1109/ULIS.2009.4897539
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000266761300015&DestApp=WOS_CPL
- URL
- http://www.scopus.com/inward/record.url?eid=2-s2.0-67650709137&partnerID=MN8TOARS
- URL
- http://orcid.org/0000-0002-3388-9227
- ID情報
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- DOI : 10.1109/ULIS.2009.4897539
- ORCIDのPut Code : 35078619
- SCOPUS ID : 67650709137
- Web of Science ID : WOS:000266761300015