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First principles study on the electronic transport properties of C60 and B80 molecular bridges

โœ Scribed by Zheng, X. H.; Hao, H.; Lan, J.; Wang, X. L.; Shi, X. Q.; Zeng, Z.


Book ID
126901701
Publisher
American Institute of Physics
Year
2014
Tongue
English
Weight
996 KB
Volume
116
Category
Article
ISSN
0021-8979

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First-principles study of the electronic
โœ P. Zhao; D.S. Liu; P.J. Wang; Z. Zhang; C.F. Fang; G.M. Ji ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 769 KB

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