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Defect-related hysteresis in nanotube-based nano-electromechanical systems.

Tsetseris L, Pantelides ST - Nanoscale Res Lett (2011)

Bottom Line: This fact can enable several applications of MWCNTs as nano-electromechanical systems (NEMS).Key defect-related effects, namely, sudden energy changes and hysteresis, are identified, and their relevance to a host of MWCNT-based NEMS is highlighted.The results also demonstrate the dependence of these effects on defect clustering and chirality of DWCNT shells.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, National Technical University of Athens, GR-15780 Athens, Greece. leont@mail.ntua.gr.

ABSTRACT
The electronic properties of multi-walled carbon nanotubes (MWCNTs) depend on the positions of their walls with respect to neighboring shells. This fact can enable several applications of MWCNTs as nano-electromechanical systems (NEMS). In this article, we report the findings of a first-principles study on the stability and dynamics of point defects in double-walled carbon nanotubes (DWCNTs) and their role in the response of the host systems under inter-tube displacement. Key defect-related effects, namely, sudden energy changes and hysteresis, are identified, and their relevance to a host of MWCNT-based NEMS is highlighted. The results also demonstrate the dependence of these effects on defect clustering and chirality of DWCNT shells.

No MeSH data available.


Related in: MedlinePlus

Energy variation during inter-tube sliding of a (9,0)@(18,0) carbon nanotube with no defects (squares-solid line), with a hillock SI pair (diamonds-dashed line) or a di-vacancy (triangles-dotted line) on the inner (9,0) shell.
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Figure 3: Energy variation during inter-tube sliding of a (9,0)@(18,0) carbon nanotube with no defects (squares-solid line), with a hillock SI pair (diamonds-dashed line) or a di-vacancy (triangles-dotted line) on the inner (9,0) shell.

Mentions: Compared to the configuration of Figure 2b, the energy of a hillock structures on the outer (18,0) shell is higher by 1.35 eV, while the formation of the double inter-tube bridge of Figure 2a increases the energy by more than 1.9 eV. Clustering changes thus the character of the defect favoring the elimination of inter-shell links. As shown in Figure 3, the energy variation during sliding of the inner shell is smooth in the absence of inter-tube bridges, without the cusps that are characteristic [25] to inter-tube shift in the case of individual SI's. The presence of the hillock reduces the amplitude of the variation (also called corrugation) from 0.77 eV of the pristine case to about 0.53 eV for the case of the hillock.


Defect-related hysteresis in nanotube-based nano-electromechanical systems.

Tsetseris L, Pantelides ST - Nanoscale Res Lett (2011)

Energy variation during inter-tube sliding of a (9,0)@(18,0) carbon nanotube with no defects (squares-solid line), with a hillock SI pair (diamonds-dashed line) or a di-vacancy (triangles-dotted line) on the inner (9,0) shell.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211306&req=5

Figure 3: Energy variation during inter-tube sliding of a (9,0)@(18,0) carbon nanotube with no defects (squares-solid line), with a hillock SI pair (diamonds-dashed line) or a di-vacancy (triangles-dotted line) on the inner (9,0) shell.
Mentions: Compared to the configuration of Figure 2b, the energy of a hillock structures on the outer (18,0) shell is higher by 1.35 eV, while the formation of the double inter-tube bridge of Figure 2a increases the energy by more than 1.9 eV. Clustering changes thus the character of the defect favoring the elimination of inter-shell links. As shown in Figure 3, the energy variation during sliding of the inner shell is smooth in the absence of inter-tube bridges, without the cusps that are characteristic [25] to inter-tube shift in the case of individual SI's. The presence of the hillock reduces the amplitude of the variation (also called corrugation) from 0.77 eV of the pristine case to about 0.53 eV for the case of the hillock.

Bottom Line: This fact can enable several applications of MWCNTs as nano-electromechanical systems (NEMS).Key defect-related effects, namely, sudden energy changes and hysteresis, are identified, and their relevance to a host of MWCNT-based NEMS is highlighted.The results also demonstrate the dependence of these effects on defect clustering and chirality of DWCNT shells.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, National Technical University of Athens, GR-15780 Athens, Greece. leont@mail.ntua.gr.

ABSTRACT
The electronic properties of multi-walled carbon nanotubes (MWCNTs) depend on the positions of their walls with respect to neighboring shells. This fact can enable several applications of MWCNTs as nano-electromechanical systems (NEMS). In this article, we report the findings of a first-principles study on the stability and dynamics of point defects in double-walled carbon nanotubes (DWCNTs) and their role in the response of the host systems under inter-tube displacement. Key defect-related effects, namely, sudden energy changes and hysteresis, are identified, and their relevance to a host of MWCNT-based NEMS is highlighted. The results also demonstrate the dependence of these effects on defect clustering and chirality of DWCNT shells.

No MeSH data available.


Related in: MedlinePlus