Effects of chemical and physical modifications on the electronic transport properties of molecular junctions

Journal of Chemical Physics

Volumn 117, Issue 22, 2002, Pages 10283-10290

  Luo, Yi ^a   Wang, Chuan Kui ^a,b   Fu, Ying ^c  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b SHANDONG NORMAL UNIVERSITY   (China)

^c CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL MODIFICATION; CHEMICAL RELAXATION; CURRENT VOLTAGE CHARACTERISTICS; ELASTICITY; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; SURFACE PROPERTIES;

ELASTIC SCATTERING; MOLECULAR JUNCTIONS; PHYSICAL MODIFICATIONS;

MOLECULAR PHYSICS;

EID: 0037045197     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1518962     Document Type: Article

References (28)

1. M. A. Reed, C. Zhou, C. J. Muller, T. P. Burgin, and J. M. Tour, Science 278, 252 (1997).
2. S. J. Tans, R. M. Verschueren, and C. Dekker. Nature (London) 393, 49 (1998).
3. S. Frank, P. Poncharal, Z. L. Wang, and W. A. de Heer, Science 280, 1744 (1998).
4. L. A. Bumm, J. J. Arnold, M. T. Cygan, T. D. Dunbar, T. P. Burgin, L. Jones, II, D. L. Allara, J. M. Tour, and P. S. Weiss, Science 271, 1705 (1996).
5. R. P. Andres, J. O. Bielefeld, J. I. Henderson, D. B. Janes, V. R. Kolagunta, C. P. Kubiak, W. J. Mahoney, and R. G. Osifchin, Science 273, 1690 (1997).
6. J. Chen, M. A. Reed, A. M. Rawlett, and J. M. Tour, Science 286, 1550 (1999).
7. V. Mujica, M. Kemp, and M. A. Ratner, J. Chem. Phys. 101, 6849 (1994).
8. M. P. Samanta, W. Tian, S. Datta, J. I. Henderson, and C. P. Kubiak, Phys. Rev. B 53, R7626 (1996).
9. E. G. Emberly and G. Kirczenow, Phys. Rev. B 58, 10911 (1998).
10. S. N. Yaliraki, M. Kemp, and M. A. Ratner, J. Am. Chem. Soc. 121, 3428 (1999).
11. S. N. Yaliraki, A. E. Roitberg, C. Gonzalez, V. Mujica, and M. A. Ratner, J. Chem. Phys. 111, 6997 (1999).
12. L. E. Hall, J. R. Reimers, N. S Hush, and K. Silverbrook, J. Chem. Phys. 112, 1510 (2000).
13. J. M. Seminario, A. G. Zacarias, and J. M. Tour, J. Phys. Chem. A 103, 7883 (1999).
14. R. Hoffmann, Solids and Surfaces: A Chemists View of Bonding in Extended Structures (VCH, New York, 1988).
15. C.-K. Wang, Y. Fu, and Y. Luo, Phys. Chem. Chem. Phys. 3, 5017 (2001).
16. M. Balkanski and R. F. Wallis, Semiconductor Physics and Applications (Oxford University Press, Oxford, 2000), p. 446, Eq. (19.50). In our case, the current from the source to the drain, as well as the drain to the source needs to be accounted for.
17. W. Tian, S. Datta, S. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, J. Chem. Phys. 109, 2874 (1998).
18. Y. Luo, and Y. Fu, Nanotechnology (to be published).
19. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98, Gaussian Inc., Pittsburgh, PA, 1998.
20. C. Zheng, Y. Apeloig, and R. Hoffmann, J. Am. Chem. Soc. 110, 749 (1988).
21. R. Wesendrup, T. Hunt, and P. Schwerdtfeger, J. Chem. Phys. 112, 9356 (2000).
22. J. Chen, W. Wang, M. A. Reed, A. M. Rawlett, D. W. Price, and J. M. Tour, Appl. Phys. Lett. 77, 1224 (2000).
23. J. M. Seminario, A. G. Zacarias, and J. M. Tour, J. Am. Chem. Soc. 122, 3015 (2000).
24. M. Di Ventra, S.-G. Kim, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 86, 288 (2001).
25. G. P. Brivio and M. I. Trioni, Rev. Mod. Phys. 71, 231 (1999).
26. M. Di Ventra, S. T. Pantelides, and N. D. Lang, Phys. Rev. Lett. 84, 979 (2000).
27. V. Mujica, A. E. Roitberg, and M. Ratner, J. Chem. Phys. 112, 6834 (2000).
28. N. D. Lang and Ph. Avouris, Phys. Rev. Lett. 84, 358 (2000).