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A first-principles study of dihydroazulene as a possible optical molecular switch

โœ Scribed by CaiJuan Xia; DeSheng Liu; HanChen Liu


Book ID
107363904
Publisher
Science in China Press (SCP)
Year
2011
Tongue
English
Weight
459 KB
Volume
54
Category
Article
ISSN
1672-1799

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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