Switching mechanism of photochromic diarylethene derivatives molecular junctions

Journal of Chemical Physics

Volumn 127, Issue 9, 2007, Pages

  Huang, Jing ^a   Li, Qunxiang ^a   Ren, Hao ^a   Su, Haibin ^b   Shi, Q W ^a   Yang, Jinlong ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; DERIVATIVES; ELECTRON TRANSPORT PROPERTIES; FERMI LEVEL; GREEN'S FUNCTION; MOLECULAR DYNAMICS; MOLECULAR ORBITALS; PHOTOCHROMISM;

DIARYLETHENE; MOLECULAR JUNCTION; TRANSMISSION SPECTRA;

ORGANIC COMPOUNDS;

EID: 34548505462     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2770733     Document Type: Article

References (43)

1. A. Aviram and M. A. Ratner, Molecular Electronics: Science and Technology (The New York Academy of Sciences, New York, 1999); A. Nitzan and M. A. Ratner, Science 300, 1384 (2003).
2. A. Aviram and M. A. Ratner, Molecular Electronics: Science and Technology (The New York Academy of Sciences, New York, 1999); A. Nitzan and M. A. Ratner, Science 300, 1384 (2003).
3. C. Joachim, J. K. Gimzewski, and A. Aviram, Nature (London) 408, 541 (2000).
4. B. Y. Choi, S. J. Kahng, S. Kim, H. Kim, H. W. Kim, Y. J. Song, J. Ihm, and Y. Kuk, Phys. Rev. Lett. 96, 156106 (2006).
5. J. Henzl, M. Mehlhorn, H. Gawronski, K. H. Rieder, and K. Morgenstern, Angew. Chem., Int. Ed. 45, 603 (2006).
6. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science 286, 1550 (1999).
7. Y. Chen, D. A. A. Ohlberg, X. M. Li, D. R. Stewart, R. S. Williams, J. O. Jeppesen, K. A. Nielsen, J. F. Stoddart, D. L. Olynick, and E. Anderson, Appl. Phys. Lett. 82, 1610 (2003).
8. A. S. Blum, J. G. Kushmerick, D. P. Long, C. H. Patterson, J. C. Yang, J. C. Henderson, Y. X. Yao, J. M. Tour, R. Shashidhar, and B. R. Ratna, Nat. Mater. 4, 167 (2005).
9. J. M. Seminario, A. G. Zacarias, and J. M. Tour, J. Am. Chem. Soc. 122, 3015 (2000).
10. J. M. Seminario, P. A. Derosa, and J. L. Bastos, J. Am. Chem. Soc. 124, 10266 (2002).
11. G. K. Ramachandran, T. J. Hopson, A. M. Rawlett, L. A. Nagahara, A. Primak, and S. M. Lindsay, Science 300, 1413 (2003).
12. H. Tian and S. J. Yang, Chem. Soc. Rev. 33, 85 (2004).
13. K. Matsuda and M. Irie, J. Photochem. Photobiol. C 5, 169 (2004).
14. C. Zhang, M. H. Du, H. P. Cheng, X. G. Zhang, A. E. Roitberg, and J. L. Krause, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.92.158301 92, 158301 (2004); C. Zhang, Y. He, H. P. Cheng, Y. Q. Xue, M. A. Ratner, X. G. Zhang, and P. Krstic, Phys. Rev. B 73, 125445 (2006).
15. C. Zhang, M. H. Du, H. P. Cheng, X. G. Zhang, A. E. Roitberg, and J. L. Krause, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.92.158301 92, 158301 (2004); C. Zhang, Y. He, H. P. Cheng, Y. Q. Xue, M. A. Ratner, X. G. Zhang, and P. Krstic, Phys. Rev. B 73, 125445 (2006).
16. J. Huang, Q. Li, H. Ren, H. Su, and J. Yang, J. Chem. Phys. 125, 184713 (2006).
17. S. Fraysse, C. Coudret, and J. P. Launay, Eur. J. Inorg. Chem. 7, 1581 (2000).
18. D. Dulić, S. J. van der Molen, T. Kudernac, H. T. Jonkman, J. J. D. de Jong, T. N. Bowden, J. van Esch, B. L. Feringa, and B. J. van Wees, Phys. Rev. Lett. 91, 207402 (2003).
19. J. He, F. Chen, P. A. Liddell, J. Andŕasson, S. D. Straight, D. Gust, T. A. Moore, A. L. Moore, J. Li, O. F. Sankey, and S. M. Lindsay, Nanotechnology 16, 695 (2005).
20. N. Katsonis, T. Kudernac, M. Walko, S. J. van der Molen, B. J. van Wees, and B. L. Feringa, Adv. Mater. (Weinheim, Ger.) 18, 1397 (2006).
21. T. Kudernac, S. J. van der Molen, B. J. van Wees, and B. L. Feringa, Chem. Commun. (Cambridge) 2006, 3597.
22. J. Li, G. Speyer, and O. F. Sankey, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.248302 93, 248302 (2004); G. Speyer, J. Li, and O. F. Sankey, Phys. Status Solidi B 241, 2326 (2004).
23. J. Li, G. Speyer, and O. F. Sankey, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.93.248302 93, 248302 (2004); G. Speyer, J. Li, and O. F. Sankey, Phys. Status Solidi B 241, 2326 (2004).
24. M. Zhuang and M. Ernzerhof, Phys. Rev. B 72, 073104 (2005).
25. M. Kondo, T. Tada, and K. Yoshizawa, Chem. Phys. Lett. 412, 55 (2005).
26. M. Taniguchi, Y. Nojima, K. Yokota, J. Terao, K. Sato, N. Kambe, and T. Kawai, J. Am. Chem. Soc. 128, 15062 (2006).
27. M. Brandbyge, J. L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002); J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
28. M. Brandbyge, J. L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65.165401 65, 165401 (2002); J. Taylor, H. Guo, and J. Wang, Phys. Rev. B 63, 245407 (2001).
29. X. Wu, Q. Li, J. Huang, and J. Yang, J. Chem. Phys. 0021-9606 10.1063/1.2102902 123, 184712 (2005); X. Wu, Q. Li, and J. Yang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.72.115438 72, 115438 (2005); Q. Li, X. Wu, J. Huang, and J. Yang, Ultramicroscopy 105, 293 (2005).
30. X. Wu, Q. Li, J. Huang, and J. Yang, J. Chem. Phys. 0021-9606 10.1063/1.2102902 123, 184712 (2005); X. Wu, Q. Li, and J. Yang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.72.115438 72, 115438 (2005); Q. Li, X. Wu, J. Huang, and J. Yang, Ultramicroscopy 105, 293 (2005).
31. X. Wu, Q. Li, J. Huang, and J. Yang, J. Chem. Phys. 0021-9606 10.1063/1.2102902 123, 184712 (2005); X. Wu, Q. Li, and J. Yang, Phys. Rev. B 0163-1829 10.1103/PhysRevB.72.115438 72, 115438 (2005); Q. Li, X. Wu, J. Huang, and J. Yang, Ultramicroscopy 105, 293 (2005).
32. S. K. Nielsen, M. Brandbyge, K. Hansen, K. Stokbro, J. M. van Ruitenbeek, and F. Besenbacher, Phys. Rev. Lett. 89, 066804 (2002).
33. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
34. J. M. Soler, E. Artacho, J. D. Gale, A. Garcia, J. Junquera, P. Ordejón, and D. S.- Portal, J. Phys.: Condens. Matter 14, 2745 (2002).
35. K. Stokbro, J. Taylor, M. Brandbyge, J.-L. Mozos, and P. Ordejón, Comput. Mater. Sci. 27, 151 (2003).
36. Our calculations are conducted by using GAUSSIAN 03 package with 6-31+G basis at BLYP level. M. J. Frisch, M. J. Frisch, G. W. Trucks, GAUSSIAN 03, Revision A.1 Gaussian, Inc., Pittsburgh, PA, 2003.
37. A. E. Clark, J. Phys. Chem. A 110, 3790 (2006).
38. R. Landauer, Philos. Mag. 21, 863 (1970).
39. M. Irie and M. Mohri, J. Org. Chem. 0022-3263 10.1021/jo00239a022 53, 803 (1988); D. Jacquemin and E. A. Perp̀te, Chem. Phys. Lett. 429, 147 (2006).
40. M. Irie and M. Mohri, J. Org. Chem. 0022-3263 10.1021/jo00239a022 53, 803 (1988); D. Jacquemin and E. A. Perp̀te, Chem. Phys. Lett. 429, 147 (2006).
41. S. H. Ke, H. U. Baranger, and W. T. Yang, J. Am. Chem. Soc. 126, 15897 (2004).
42. Y. Q. Xue, and M. A. Ratner, Phys. Rev. B 69, 085403 (2004).
43. J. K. Viljas, J. C. Cuevas, F. Pauly, and M. Häfner, Phys. Rev. B 72, 245415 (2005).