Applied Physics Letters
Feedback | Help | Exit
Applied Physics Letters
Search:
   
 
 
 
Previous Article
Negative differential resistance in conductive polymer and semiconducting quantum dot nanocomposite systems
We report the room temperature negative differential resistance (NDR) phenomenon in nanocomposite heterostructures made of semiconducting quantum dots embedded in conductive polymers. The peak to vall...
Next Article
Design of graphene electronic devices using nanoribbons of different widths
We present a simple design of a field effect transistor based on graphene nanoribbons, taking advantage of the metallic and semiconductor nature of nanoribbons with different widths. Such device could...

Mechanism for tautomerization induced conductance switching of naphthalocyanin molecule

Appl. Phys. Lett. 95, 182103 (2009); doi:10.1063/1.3224186

Published 3 November 2009

You are not logged in to this journal. Log in

Qiang Fu,1,2 Jinlong Yang,1 and Yi Luo1,2
1Hefei National Laboratory for Physical Science at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China
2Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden
Reaction mechanism for tautomerization process of a single naphthalocyanin molecule has been studied using density functional theory. It is found that tautomerization of the naphthalocyanin molecule is not a concerted reaction, but a step-wise process in that one hydrogen atom transfers after another. A stable intermediate state and the possible transition state of the reaction processes have been located. The occurrence of the intermediate state suggests that the tautomerization induced conductance switching involves four conductance states with different conductances, and the earlier proposed two-state system model is not valid. ©2009 American Institute of Physics
History: Received 19 April 2009; accepted 18 August 2009; published 3 November 2009
Permalink: http://link.aip.org/link/?APPLAB/95/182103/1
BUY THIS ARTICLE   (US$24)
Download HTML Download Sectioned HTML Download PDF (379 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 82.30.Qt
    Isomerization and rearrangement in chemical reactions
  • 82.20.Db
    Transition state theory and statistical theories of rate constants (chemical kinetics)
  • 82.20.Uv
    Stochastic theories of rate constants in chemical kinetics
  • YEAR: 2009

PUBLICATION DATA

ISSN:
0003-6951 (print)   1077-3118 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (19)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. D. M. Eigler, C. P. Lutz, and W. E. Rudge, Nature (London) 352, 600 (1991).
  2. G. K. Ramachandran, T. J. Hopson, A. M. Rawlett, L. A. Nagahara, A. Primak, and S. M. Lindsay, Science 300, 1413 (2003).
  3. Z. J. Donhauser, B. A. Mantooth, K. F. Kelly, L. A. Bumm, J. D. Monnell, J. J. Stapleton, D. W. Price, Jr., A. M. Rawlett, D. L. Allara, J. M. Tour, and P. S. Weiss, Science 292, 2303 (2001).
  4. F. Moresco, G. Meyer, K. -H. Rieder, H. Tang, A. Gourdon, and C. Joachim, Phys. Rev. Lett. 86, 672 (2001).
  5. X. H. Qiu, G. V. Nazin, and W. Ho, Phys. Rev. Lett. 93, 196806 (2004).
  6. 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).
  7. K. Tomatsu, K. Nakatsuji, T. Iimori, Y. Takagi, H. Kusuhara, A. Ishii, and F. Komori, Science 315, 1696 (2007).
  8. P. Liljeroth, J. Repp, and G. Meyer, Science 317, 1203 (2007).
  9. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996).
  10. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996).
  11. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
  12. P. E. Blochl, Phys. Rev. B 50, 17953 (1994).
  13. G. Henkelman, B. P. Uberuaga, and H. Jonsson, J. Chem. Phys. 113, 9901 (2000).
  14. J. Tersoff and D. R. Hamann, Phys. Rev. B 31, 805 (1985).
  15. http://www.theochem.kth.se/~qfu/SI.pdf.
  16. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
  17. H. Cortina, M. L. Senent, and Y. G. Smeyers, J. Phys. Chem. A 107, 8968 (2003).
  18. S. W. Gao, M. Persson, and B. I. Lundqvist, Phys. Rev. B 55, 4825 (1997).
  19. G. P. Salam, M. Persson, and R. E. Palmer, Phys. Rev. B 49, 10655 (1994).

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics