First-principles study of the switching characteristics of the phenoxynaphthacenequinone-based optical molecular switch with carbon nanotube electrodes
โ Scribed by P. Zhao; C.F. Fang; Y.M. Wang; Y.X. Zhai; D.S. Liu
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 801 KB
- Volume
- 41
- Category
- Article
- ISSN
- 1386-9477
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โฆ Synopsis
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) method. It is shown that a maximum on-off ratio (about 120) can be obtained at 0.9 V. Our result shows that the PNQN molecule is one of the good candidates for optical molecular switches and the SWCNTs are promising electrode materials and will be useful in the near future.
๐ SIMILAR VOLUMES
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 hydro