First-principles study of the electronic transport properties of the anthraquinone-based molecular switch

Physica B: Condensed Matter

Volumn 406, Issue 4, 2011, Pages 895-898

  Zhao, P ^a   Liu, D S ^b,c   Wang, P J ^a   Zhang, Z ^a   Fang, C F ^b   Ji, G M ^b  

^a UNIVERSITY OF JINAN   (China)

^b SHANDONG UNIVERSITY   (China)

^c JINING UNIVERSITY   (China)

Author keywords

Anthraquinone; Electronic transport; Molecular switch; Non equilibrium Green's function

Indexed keywords

ANTHRAQUINONE; ELECTRONIC TRANSPORT; ELECTRONIC TRANSPORT PROPERTIES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; MOLECULAR SWITCHES; NON-EQUILIBRIUM GREEN'S FUNCTION; POTENTIAL APPLICATIONS; TRANSMISSION SPECTRUMS;

DENSITY FUNCTIONAL THEORY; KETONES; PHENOLS; REDOX REACTIONS; TRANSPORT PROPERTIES;

GREEN'S FUNCTION;

EID: 78751645144     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.12.023     Document Type: Article

References (29)

1. C. Joachim, J.K. Gimzewski, R.R. Schlittler, and C. Chavy Phys. Rev. Lett. 74 1995 2102
2. M.A. Reed, C. Zhou, C.J. Muller, T.P. Burgin, and J.M. Tour Science 278 1997 252
3. J. Reichert, R. Ochs, D. Beckman, H.B. Weber, M. Mayor, and H.v. Lohneysen Phys. Rev. Lett. 88 2002 176804
4. R.H.M. Smit, Y. Noat, C. Untiedt, N.D. Lang, M.C. van Hemert, and J.M. van Ruitenbeek Nature 419 2002 906
5. G.V. Nazin, X.H. Qiu, and W. Ho Science 302 2003 77
6. P. Zhao, C.F. Fang, C.J. Xia, Y.M. Wang, D.S. Liu, and S.J. Xie Appl. Phys. Lett. 93 2008 013113
7. P. Zhao, C.F. Fang, C.J. Xia, D.S. Liu, and S.J. Xie Chem. Phys. Lett. 453 2008 62
8. P. Zhao, P.J. Wang, Z. Zhang, and D.S. Liu Phys. Lett. A 374 2010 1167
9. R. Pati, and S.P. Karna Phys. Rev. B 69 2004 155419
10. F. Chen, J. He, C. Nuckolls, T. Roberts, J.E. Klare, and S. Lindsay Nano Lett. 5 2005 503
11. E.H. van Dijk, D.J.T. Myles, M.H. van der Veen, and J.C. Hummelen Org. Lett. 8 2006 2333
12. T. Markussen, J. Schitz, and K.S. Thygesen J. Chem. Phys. 132 2010 224104
13. T. Vondrak, J.C. Cramer, and X.Y. Zhu J. Phys. Chem. B 103 1999 8915
14. H. Gronbeck, A. Curioni, and W. Andreoni J. Am. Chem. Soc. 122 2000 3839
15. S.H. Ke, H.U. Baranger, and W. Yang J. Chem. Phys. 123 2005 114701
16. J. Nara, S. Higai, Y. Morikawa, and T. Ohno J. Chem. Phys. 120 2004 6705
17. J. Gottschalck, and B.A. Hammer J. Chem. Phys. 116 2002 784
18. Y. Cao, Q. Ge, D. Dyer, and L. Wang J. Phys. Chem. B 107 2003 3803
19. H. Sellers, A. Ulman, Y. Shnidman, and J.E. Eilers J. Am. Chem. Soc. 115 1993 9389
20. J.M. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejon, and D.S. Portal J. Phys.: Condens. Matter 14 2002 2745
21. J. Taylor, H. Guo, and J. Wang Phys. Rev. B 63 2001 245407
22. M. Brandbyge, J.L. Mozos, P. Ordejon, J. Taylor, and J.K. Stokbro Phys. Rev. B 65 2002 165401
23. S.O. Koswatta, M.S. Lundstrom, and D.E. Nikonov Nano Lett. 7 2007 1160
24. S.M. Lindsay, and M.A. Ratner Adv. Mater. 19 2007 23
25. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
26. N. Troullier, and J. Martins Phys. Rev. B 43 1991 1993
27. S. Datta Electronic Transport in Mesoscopic Systems 1995 Cambridge University Press New York
28. K. Stokbro, J. Taylor, M. Brandbyge., J.-L. Mozos, and P. Ordejon Comput. Mater. Sci. 27 2003 151
29. J. Taylor, M. Brandbyge, and K. Stokbro Phys. Rev. Lett. 89 2002 138301