Rhodium atoms confined in boron nitride nanotubes: Density functional calculations

Chen, Qi, Li, Feng, Dong, Xi, Liu, Xiangdong, Zhao, Mingwen, Zou, Yan, Ma, Shengqian and Li, Suyan (2010) Rhodium atoms confined in boron nitride nanotubes: Density functional calculations. EPL, 90 4: 47003-1-47003-6. doi:10.1209/0295-5075/90/47003


Author Chen, Qi
Li, Feng
Dong, Xi
Liu, Xiangdong
Zhao, Mingwen
Zou, Yan
Ma, Shengqian
Li, Suyan
Title Rhodium atoms confined in boron nitride nanotubes: Density functional calculations
Journal name EPL   Check publisher's open access policy
ISSN 0295-5075
1286-4854
Publication date 2010-05
Sub-type Article (original research)
DOI 10.1209/0295-5075/90/47003
Open Access Status Not Open Access
Volume 90
Issue 4
Start page 47003-1
End page 47003-6
Total pages 6
Place of publication Les Ulis, France
Publisher EDP Sciences
Collection year 2011
Language eng
Formatted abstract
Density functional calculations were performed to investigate the atomic and electronic structures of Rh-filled (n,0) boron nitride nanotubes (Rh@BNNTs) for n=6, 7, and 8. Our results indicate that Rh atoms encapsulated in BNNTs self-aggregate to form ultrathin nanowires, of which the atomic arrangement depends on the tube diameter as well as the Rh content. The electronic structures of the Rh@BNNTs can be tuned from semiconducting to metallic by controlling the Rh content. The Rh@BNNTs are expected to serve as building blocks for the next generation of nanoscaled electronic devices. © 2010 Europhysics Letters Association.
Keyword BN nanotubes
Nanowires
Pseudopotentials
Carbon
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Article # 47003

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2011 Collection
 
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Created: Sun, 11 Jul 2010, 00:06:14 EST