First-principles study of electrochemical gate-controlled conductance in molecular junctions

Nano Letters

Volumn 6, Issue 9, 2006, Pages 2091-2094

  Su, Wenyong ^a,b   Jiang, Jun ^a,c   Lu, Wei ^c   Luo, Yi ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b BEIJING INSTITUTE OF TECHNOLOGY   (China)

^c SHANGHAI INSTITUTE OF TECHNICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD ELECTRODES; MOLECULAR JUNCTIONS; MOLECULAR ORBITALS; RESONANT ELECTRON TUNNELING;

COMPUTATIONAL METHODS; ELECTRIC FIELDS; ELECTROCHEMISTRY; ELECTRON TUNNELING; FIELD EFFECT TRANSISTORS; MOLECULAR DYNAMICS;

ELECTRIC CONDUCTANCE;

NANOMATERIAL;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; ELECTROCHEMISTRY; EQUIPMENT; EQUIPMENT DESIGN; INSTRUMENTATION; METHODOLOGY; MICROELECTRODE; SEMICONDUCTOR;

COMPUTER SIMULATION; ELECTRIC CONDUCTIVITY; ELECTROCHEMISTRY; EQUIPMENT DESIGN; EQUIPMENT FAILURE ANALYSIS; MICROELECTRODES; MODELS, CHEMICAL; MODELS, MOLECULAR; NANOSTRUCTURES; TRANSISTORS;

EID: 33749680460     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl061376z     Document Type: Article

References (23)

1. (a) Ratner, M. A.; Joachim, C. PNAS 2005, 102, 8801.
2. (b) Molecular Nanoelectronics; Reed, M. A., Lee, T. T., Eds.; Am. Sci.: Stevenson Ranch, CA, 2003.
3. Lee, J.-O.; Lientschnig, G.; Wiertz, F.: Struijk, M.; Jamssen, R. A. J.; Egberink, R.; Reinhoudt, D. N.; Hadley, P.; Dekker, C. Nano Lett. 2003, 3, 113.
4. Xu, B. Q.; Xiao, X. Y.; Yang, X. M.; Zang, L.; Tao, N. J. J. Am. Chem. Soc. 2005, 127, 2386.
5. Xiao, X.; Nagahara, L. A.; Rawlett, A. M.; Tao, N. J. J. Am. Chem. Soc. 2005, 127, 9235.
6. (a) Di Ventra, M.; Pantelides, S. T.; Lang, N. D. Appl. Phys. Lett. 2000, 76, 3448.
7. (b) Emberly, E. G.; Kirczenow, G. Phys. Rev. B 2000, 62, 10451.
8. (c) Damle, P.; Rakshit, T.; Paulsson, M.; Darra, S. IEEE Trans. Nanotechnol. 2002, 1, 145.
9. (d) Bratkovsky, A. M.; Kornilovitch, P. E. Phys. Rev. B 2003, 67, 115307.
10. Ghosh, A. W.; Rakshit, T.; Datta, S. Nano. Lett. 2004, 4, 565.
11. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M. Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J. Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C. Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D. Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V. Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
12. Jiang, J.; Luo, Y. QCME-V1.0, Quantum Chemistry for Molecular Electronics; Stockholm, Sweden, 2005.
13. Jiang, J.; Kula, M.; Luo, Y. J. Chem. Phys. 2006, 124, 034708.
14. (a) Su, W.; Jiang, J.; Luo, Y. Chem. Phys. Lett. 2005, 412, 406.
15. (b) Luo, Y.; Wang, C.-K.; Fu, Y. J. Chem. Phys. 2002, 117, 10283.
16. (c) Jiang, J.; Lu, W.; Luo, Y. Chem. Phys. Lett. 2005, 416, 272.
17. (d) C.-K. Wang, Fu, Y.; Luo, Y. Phys. Chem. Chem. Phys. 2000, 3, 5017.
18. (e) Wang, C.-K.; Luo, Y. J. Chem. Phys. 2003, 119, 4923.
19. (f) Li, Z. L.; Zou, B.; Wang, C.-K.; Luo, Y. Phys. Rev. B 2006, 73, 075326.
20. Jiang, J.; Kula, M.; Lu, W.; Luo, Y. Nano. Lett. 2005, 5, 1551.
21. Hu, W.; Jiang, J.; Nakashima, H.; Luo, Y.; Chen, K.-Q.; Shuai, Z.; Furukawa, K.; Lu, W.; Liu, Y.; Zhu, D.; Torimitsu, K. Phys. Rev. Lett. 2006, 96, 027801.
22. Luo, Y.; Norman, P.; Ågren, H. J. Chem. Phys. 1998, 109, 3589.
23. J. Am. Chem. Soc. 1998, 120, 11188.