Ab initio investigation of the characteristics of the phenoxynaphthacenequinone-based optical molecular switch
β Scribed by P. Zhao; D.S. Liu; S.J. Xie
- Book ID
- 108241273
- Publisher
- Elsevier Science
- Year
- 2008
- Tongue
- English
- Weight
- 735 KB
- Volume
- 372
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
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
The equhbnum geometry and vtbrattonal frequenctes oicubanc have been studled with xcur~tc ab mmo SCT cslculatlons The cxkuhtions confum the cutuc symmetry oithc molecule, and the computed bond dlstanccsRCC = J.j70 A, RCH = 1081 A compac well wtth e\pertmcnt lntensttics and depolartzatton IXIOS have