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Nanomechanically induced molecular conductance switch
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
KTH, School of Biotechnology (BIO), Theoretical Chemistry.ORCID iD: 0000-0003-0007-0394
2009 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 95, no 23Article in journal (Refereed) Published
Abstract [en]

A mechanical single molecular switch using specific metallic broken carbon nanotubes (BCNTs) as electrodes is designed. It can operate by simply pressing one of the electrodes mechanically with robust performance. The device has been modeled by combining molecular dynamics simulations and first principles calculations. With the help of molecular dynamic simulations, a realistic description of the broken ends of the BCNT is obtained, while high ON/OFF conductance ratio has been obtained from nonequilibrium Green's function calculations. A microscopic mechanism is suggested for the switch behavior.

Place, publisher, year, edition, pages
2009. Vol. 95, no 23
Keyword [en]
walled carbon nanotubes, hydrocarbons, dynamics
URN: urn:nbn:se:kth:diva-19040DOI: 10.1063/1.3273867ISI: 000272627700050ScopusID: 2-s2.0-71949087261OAI: diva2:337087
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-02-01Bibliographically approved

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Li, Xiao-FeiLuo, Yi
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