Electronic transport properties of a molecular switch with carbon nanotube electrodes: A first-principles study

• Published in: Physica. B, Condensed matter Vol. 405; no. 1; pp. 446 - 450
• Main Authors: Zhao, P., Wang, P.J., Zhang, Z., Liu, D.S.
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier B.V 2010; Elsevier
• Subjects: Chirality; Condensed matter; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Conductance; Electrodes; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Electronic transport; Electronic transport in multilayers, nanoscale materials and structures; Electronics; Exact sciences and technology; Molecular switch; Nanoscale contacts; Non-equilibrium Green's function; Physics; Single wall carbon nanotubes; Single-walled carbon nanotube; Switches; Transport properties; 73.23.−b; Molecular switch; Electronic transport; 85.65.+h; Non-equilibrium Green's function; Single-walled carbon nanotube; 31.15.A; 61.46.Fg; Electrical switching; Electrical conductivity; 73.23.-b; Carbon nanotubes; Singlewalled nanotube; Electronic structure; Chirality; Density functional method; 85.65.+h Molecular switch; Transport processes; Green's function methods
• ISSN: 0921-4526; 1873-2135
• DOI: 10.1016/j.physb.2009.09.009

We have studied the electronic transport properties of a new kind of optical molecular switch with two single-walled carbon nanotube (SWCNT) electrodes using first-principles transport calculations. It is shown that the enol form shows an overall higher conductance than the keto form at low-bias voltage, which is independent of the SWCNTs’ chirality. Meantime, it is possible to tune the conductance of the molecular switch by changing the chirality of the SWCNTs.