๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

First-principles study of the electronic transport properties of the anthraquinone-based molecular switch

โœ Scribed by P. Zhao; D.S. Liu; P.J. Wang; Z. Zhang; C.F. Fang; G.M. Ji

Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
769 KB
Volume
406
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.

โœฆ Synopsis

By applying non-equilibrium Green's function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of the anthraquinonebased molecular switch. The molecule that comprises the switch can be converted between the hydroquinone (HQ) and anthraquinone (AQ) forms via redox reactions. The transmission spectra of these two forms are remarkably distinctive. Our results show that the current through the HQ form is significantly larger than that through the AQ form, which suggests that this system has attractive potential application in future molecular switch technology.

๐Ÿ“œ SIMILAR VOLUMES

First-principles study of the switching
First-principles study of the switching characteristics of the phenoxynaphthacenequinone-based optical molecular switch with carbon nanotube electrodes
โœ P. Zhao; C.F. Fang; Y.M. Wang; Y.X. Zhai; D.S. Liu ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 801 KB

We have studied the switching characteristics of an optical molecular switch based on the phenoxynaphthacenequinone (PNQN) molecule with two armchair single-walled carbon nanotube (SWCNT) electrodes using the first-principles density functional-based non-equilibrium Green's function (DFT-NEGF) metho