First-principles study of electron transport behavior through porphyrin molecular wires

Materials Science Forum

Volumn 663-665, Issue , 2011, Pages 616-619

  Li, Yan Wei ^a   Yao, Jin Huan ^a   Deng, Xing Sheng ^a   Huang, Xiao Xi ^a  

^a GUILIN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Electron transport; First principles calculation; Molecular electronics; Porphyrin

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; MOLECULAR ELECTRONICS; OLIGOMERS; OPTOELECTRONIC DEVICES; PORPHYRINS; QUANTUM CHEMISTRY; QUANTUM THEORY;

ELECTRON TRANSMISSION; ELECTRON TRANSPORT; EXPONENTIAL RELATION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; MOLECULAR JUNCTION; NON-EQUILIBRIUM GREEN'S FUNCTION; QUANTUM-MECHANICAL CALCULATION;

ELECTRON TRANSPORT PROPERTIES;

EID: 78649928346     PISSN: 02555476     EISSN: 16629752     Source Type: Book Series    
DOI: 10.4028/www.scientific.net/MSF.663-665.616     Document Type: Conference Paper

References (18)

1. A. Aviram and M.A. Ratner: Chem. Phys. Lett. Vol. 29 (1974), p. 277.
2. K. Moth-Poulsen1 and T. Bjørnholm: Nature Nanotech. Vol. 4 (2009), p. 551.
3. A. Błaszczyk, M. Chadim, C. von Hänisch and M. Mayor: Eur. J. Org. Chem. Vol. 2006 (2006), p. 3809.
4. J. Otsuki, T. Akasaka and K. Araki: Coordin. Chem. Rev. Vol. 252 (2008), p. 32.
5. Y.W. Li, J.W. Zhao, X. Yin and G.P. Yin: ChemPhysChem Vol. 7 (2006), p. 2593.
6. H. Nakanishi, K. Miyamoto, M.Y. David, E.S. Dy, R. Tanaka and H. Kasai: J. Phys.: Condens. Matter Vol. 19 (2007), p. 365234.
7. Y.W. Li, J.H. Yao, C.J. Liu, J.W. Yang and C.L. Yang: Phys. Lett. A. Vol. 373 (2009), p. 3974.
8. S.U. Lee, R.V. Belosludov, H. Mizuseki and Y. Kawazoe: Small Vol. 4 (2008), p 962.
9. Gaussian 09, Revision A.02, Gaussian, Inc., Wallingford CT, 2009.
10. Y.W. Li, J.W. Zhao, X. Yin, H.M. Liu and G.P. Yin: Phys. Chem. Chem. Phys. Vol. 9 (2007), p. 1186.
11. J.C. Cuevas, J. Heurich, F. Pauly, W. Wenzel and G. Schon: Nanotechnology Vol. 14 (2003), p. R29.
12. S. Sen and S. Chakrabarti: J. Phys. Chem. C. Vol. 112 (2008), p. 15537.
13. J. Taylor, H. Guo and J. Wang: Phys. Rev. B Vol. 63 (2001), p. 245407.
14. K. Stokbro, J. Taylor and M. Brandbyge: J. Am. Chem. Soc. Vol. 125 (2003), p. 3674.
15. A. Salomon, D. Cahen, S. Lindsay, J. Tomfohr, V.B. Engelkes and C.D. Frisbie: Adv. Mater. Vol. 15 (2003), p. 1.
16. Y.W. Li, J.W. Zhao, X. Yin and G.P. Yin: J. Phys. Chem. A Vol. 110 (2006), p. 11130.
17. G. Sedghi, K. Sawada, L.J. Esdaile, M. Hoffmann, H.L. Anderson, D. Bethell, W. Haiss, S.J. Higgins and R.J. Nichols: J. Am. Chem. Soc. Vol. 130 (2008), p. 8582.
18. H. Meier: Angew. Chem. Int. Ed. Vol. 48 (2009), p. 3911.