Theoretical analysis of geometry-correlated conductivity of molecular wire

Chemical Physics Letters

Volumn 422, Issue 1-3, 2006, Pages 111-116

  Yin, Xing ^a   Li, Yanwei ^b   Zhang, Yan ^a   Li, Peng ^a   Zhao, Jianwei ^a  

^a NANJING UNIVERSITY   (China)

^b HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; DISCRETE FOURIER TRANSFORMS; ELECTRIC CONDUCTIVITY; ELECTRONIC EQUIPMENT; GREEN'S FUNCTION; OPTIMIZATION;

DFT CALCULATIONS; MOLECULAR WIRE; TRANSMISSION SPECTRA;

MOLECULAR DYNAMICS;

EID: 33646072447     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.02.020     Document Type: Article

References (27)

1. Dhirani A., Lin P.-H., Guyot-Sionnest P., Zehner R.W., and Sita L.R. J. Chem. Phys. 106 (1997) 5249
2. Seminario J.M., Zacarias A.G., and Derosa P.A. J. Phys. Chem. A 105 (2001) 791
3. Zangmeister C.D., Robey S.W., and Zee R.D.v. J. Phys. Chem. B 108 (2004) 16187
4. Chen J., Reed M.A., Rawlett A.M., and Tour J.M. Science 286 (1999) 1550
5. Zhou C., Deshpande M.R., Reed M.A., Jones II L., and Tour J.M. Appl. Phys. Lett. 71 (1997) 611
6. Zahid F., Paulsson M., Polizzi E., Ghosh A.M., Siddiqui L., and Datta S. J. Chem. Phys. 123 (2005) 064707
7. Lu J.-Q., Wu J., Chen H., Duan W., Gu B.-L., and Kawazoe Y. Phys. Lett. A 323 (2004) 154
8. Taylor J., Brandbyge M., and Stokbro K. Phys. Rev. Lett. 89 (2002) 138301
9. Seminario J.M., Zacarias A.G., and Tour J.M. J. Am. Chem. Soc. 122 (2000) 3015
10. Datta S. Electronic Transport in Mesoscopic Systems (1996), Cambridge University Press, New York
11. Basch H., Cohen R., and Ratner M.A. NanoLetters 5 (2005) 1668
12. Hall L.E., Reimers J.R., Hush N.S., and Silverbrook K. J. Chem. Phys. 112 (2000) 1510
13. Stokbro K., Taylor J., Brandbyge M., Mozos J.-L., and Ordejon P. Comput. Mater. Sci. 27 (2003) 151
14. Tomfohr J., and Sankey O.F. J. Chem. Phys. 120 (2004) 1542
15. Yaliraki S.N., Roitberg A.E., Gonzalez C., Mujica V., and Ratner M.A. J. Chem. Phys. 111 (1999) 6997
16. Frisch M.J., et al. Gaussian (2004), Gaussian Inc., Wallingford, CT
17. Atomistix A/S, 2004.
18. Brandbyge M., Mozos J.-L., Ordejon P., Taylor J., and Stokbro K. Phys. Rev. B 65 (2002) 165401
19. Cuevas J.C., Heurich J., Pauly F., Wenzel W., and Schon G. Nanotechnology 14 (2003) R29
20. Li Y., Zhang Y., Yin G., and Zhao J. Chem. J. Chin. U 27 (2006) 292
21. Cui X.D., Primak A., Zarate X., Tomfohr J., Sankey O.F., Moore A.L., Moore T.A., Gust D., Harris G., and Lindsay S.M. Science 294 (2001) 571
22. Delaney P., Nolan M., and Greer J.C. J. Chem. Phys. 122 (2005) 044710
23. Cui X.D., Zarate X., Tomfohr J., Sankey O.F., Primak A., Moore A.L., Moore T.A., Gust D., Harris G., and Linsay S.M. Nanotechnology 13 (2002) 5
24. Zhao J., and Uosaki K. J. Phys. Chem. B 108 (2004) 17129
25. Ke S.-H., Baranger H.U., and Yang W. Phys. Rev. B 70 (2004) 085410
26. Weber H.B., Reichert J., Weigend F., Ochs R., Beckmann D., Mayor M., Ahlrichs R., and Lohneysen H.v. Chem. Phys. 281 (2002) 113
27. Li Z.-L., Wang C.-K., Luo Y., and Xue Q.-K. Chin. Phys. 14 (2005) 1036