Investigation of the transition voltage spectra of molecular junctions considering frontier molecular orbitals and the asymmetric coupling effect

Journal of Physical Chemistry C

Volumn 115, Issue 36, 2011, Pages 17979-17985

  Wang, Gunuk ^a   Kim, Yonghun ^a   Na, Seok In ^b   Kahng, Yung Ho ^a   Ku, Jamin ^a   Park, Sungjun ^a   Jang, Yun Hee ^a   Kim, Dong Yu ^a   Lee, Takhee ^a,c  

^a Gwangju Institute of Science and Technology (GIST)   (South Korea)

^b Korea Institute of Science and Technology   (South Korea)

^c Seoul National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

ASYMMETRIC COUPLING; DEVICE DATA; ENERGY LEVEL; ENERGY OFFSET; FOWLER-NORDHEIM PLOTS; FRONTIER MOLECULAR ORBITALS; MOLECULAR CHANNELS; MOLECULAR JUNCTION; MOLECULAR LENGTH; MOLECULAR MODELS; SEQUENTIAL CHANGES; TRANSITION VOLTAGE;

CHEMICAL BONDS; MOLECULAR MODELING; MOLECULAR ORBITALS;

CURRENT VOLTAGE CHARACTERISTICS;

EID: 80052570011     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp204340w     Document Type: Article

References (39)

1. Joachim, C.; Gimzewski, J. K.; Aviram, A. Electronics using hybrid-molecular and mono-molecular devices Nature 2000, 408, 541-548
2. Nitzan, A.; Ratner, M. A. Electron transport in molecular wire junctions Science 2003, 300, 1384-1389 (Pubitemid 36638150)
3. Song, H.; Kim, Y.; Jang, Y. H.; Jeong, H.; Reed, M. A.; Lee, T. Observation of molecular orbital gating Nature 2009, 462, 1039-1043
4. Ohara, M.; Kim, Y.; Yanagisawa, S.; Morikawa, Y.; Kawai, M. Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at a scanning tunneling microscope junction Phys. Rev. Lett. 2008, 100, 136104
5. Salomon, A.; Cahen, D.; Lindsay, S.; Tomfohr, J.; Engelkes, V. B.; Frisbie, C. D. Comparison of electronic transport measurements on organic molecules Adv. Mater. 2003, 15, 1881-1890
6. Beebe, J. M.; Kim, B.; Gadzuk, J. W.; Frisbie, C. D.; Kushmerick, J. G. Transition from direct tunneling to field emission in metal-molecule-metal junctions Junctions Phys. Rev. Lett. 2006, 97, 026801
7. Beebe, J. M.; Kim, B.; Frisbie, C. D.; Kushmerick, J. G. Measuring relative barrier heights in molecular electronic junctions with transition voltage spectroscopy ACS Nano 2008, 2, 827-832
8. Kushmerick, J. G.; Holt, D. B.; Yang, J. C.; Naciri, J.; Moore, M. H.; Shashidhar, R. Metal-molecule contacts and charge transport across monomolecular layers: measurement and theory Phys. Rev. Lett. 2002, 89, 086802
9. Chen, J.; Calvet, L. C.; Reed, M. A.; Carr, D. W.; Grubisha, D. S.; Bennett, D. W. Electronic transport through metal-1,4-phenylene diisocyanide-metal junctions Chem. Phys. Lett. 1999, 313, 741-748 (Pubitemid 129556721)
10. Huisman, E. H.; Guédon, C. M.; van Wees, B. J.; van der Molen, S. J. Interpretation of transition voltage spectroscopy Nano Lett 2009, 9, 3909-3913
11. Araidai, M.; Tsukada, M. Theoretical calculations of electron transport in molecular junctions: Inflection behavior in Fowler-Nordheim plot and its origin Phys. Rev. B 2010, 81, 235114
12. Choi, S. H.; Kim, B.; Frisbie, C. D. Electrical resistance of long conjugated molecular wires Science 2008, 320, 1482-1486 (Pubitemid 351929425)
13. Wang, G.; Kim, T.-W.; Jo, G.; Lee, T. Enhancement of field emission transport by molecular tilt configuration in metal-molecule-metal junctions junctions J. Am. Chem. Soc. 2009, 131, 5980-5985
14. Smaali, K.; Lenfant, S.; Karpe, S.; Ocafrain, M.; Blanchard, P.; Deresmes, D.; Godey, S.; Rochefort, A.; Roncali, J.; Vuillaume, D. High on-off conductance switching ratio in optically-driven self-assembled conjugated molecular systems ACS Nano 2010, 4, 2411-2421
15. Tan, A.; Sadat, S.; Reddy, P. Measurement of thermopower and current-voltage characteristics of molecular junctions to identify orbital alignment Appl. Phys. Lett. 2010, 96, 013110
16. 3 dielectric thickness J. Appl. Phys. 2010, 107, 034504
17. Simmons, J. G. Generalized formula for the electric tunnel effect between similar electrodes separated by a thin insulating film J. Appl. Phys. 1963, 34, 1793
18. Chen, J.; Markussen, T.; Thygesen, K. S. Quantifying transition voltage spectroscopy of molecular junctions: ab initio calculations Phys. Rev. B 2010, 82, 121412
19. Akkerman, H. B.; Blom, P. W. M.; de Leeuw, D. M.; de Boer, B. Towards molecular electronics with large-area molecular junctions Nature 2006, 441, 69-72
20. Kim, B.; Beebe, J. M.; Jun, Y.; Zhu, X. Y.; Frisbie, C. D. Correlation between HOMO alignment and contact resistance in molecular junctions: aromatic thiols versus aromatic isocyanides J. Am. Chem. Soc. 2006, 128, 4970-4971
21. Song, H.; Kim, Y.; Jeong, H.; Reed, M. A.; Lee, T. Coherent tunneling transport in molecular junctions J. Phys. Chem. C 2010, 114, 20431-20435
22. Bâldea, I. Revealing molecular orbital gating by transition voltage spectroscopy Chem. Phys. 2010, 377, 15-20
23. Lötscher, E.; Weber, H. B.; Riel, H. Statistical approach to investigating transport through single molecules Phys. Rev. Lett. 2007, 98, 176807
24. Lötscher, E.; Elbing, M.; Tschudy, M.; von, Hänisch., C.; Weber, H. B.; Mayor, M.; Riel, H. Charge transport through molecular rods with reduced pi-conjugation Chem. Phys. Chem. 2008, 9, 2252-2258
25. Hong, S.; Reifenberger, R.; Tian, W.; Datta, S.; Henderson, J. I.; Kubiak, C. P. Molecular conductance spectroscopy of conjugated, phenyl-based molecules on Au(111): the effect of end groups on molecular conduction Superlattices Microstruct. 2000, 28, 289-303 (Pubitemid 32031132)
26. Akkerman, H. B.; Naber, R. C. G.; Jongbloed, B.; van Hal, P. A.; Blom, P. W. M.; de Leeuw, D. M.; de Boer, B. Electron tunneling through alkanedithiol self-assembled monolayers in large-area molecular junctions Proc Natl Acad Sci USA 2007, 104, 11161-11166 (Pubitemid 47175111)
27. Datta, S. Quantum Transport: Atom To Transistor; Cambridge University Press: Cambridge, U.K., 2005.
28. Paulsson, M.; Datta, S. Thermoelectric effect in molecular electronics Phys. Rev. B 2003, 67, 241403
29. Malen, J. A.; Doak, P.; Baheti, K.; Tilley, T. D.; Segalman, R. A.; Majumdar, A. Identifying the length dependence of orbital alignment and contact coupling in molecular heterojunctions Nano Lett. 2009, 9, 1164-1169
30. Peng, G.; Strange, M.; Thygesen, K. S.; Mavrikakis, M. Conductance of conjugated molecular wires: length dependence, anchoring groups, and band alignment J. Phys. Chem. C 2009, 113, 20967-20973
31. Wang, G.; Kim, Y.; Choe, M.; Kim, T.-W.; Lee, T. A new approach for molecular electronic junctions with a multilayer graphene electrode Adv. Mater. 2010, 23, 755-760
32. Wang, G.; Yoo, H.; Na, S.-I.; Kim, T.-W.; Cho, B.; Kim, D.-Y.; Lee, T. Electrical conduction through self-assembled monolayers in molecular junctions: Au/molecules/Au versus Au/molecule/PEDOT:PSS/Au Thin Solid Films 2009, 518, 824-828
33. Quek, S. Y.; Venkataraman, L.; Choi, H. J.; Louie, S. G.; Hybertsen, M. S.; Neaton, J. B. Amine-gold linked single-molecule circuits: experiment and theory Nano Lett. 2007, 7, 3477-3482 (Pubitemid 350216048)
34. Neaton, J. B.; Hybertsen, M. S.; Louie, S. G. Renormalization of molecular electronic levels at metal-molecule interfaces Phys. Rev. Lett. 2006, 97, 216405
35. Darancet, P.; Ferretti, A.; Mayou, D.; Olevano, V. Ab initio GW electron-electron interaction effects in quantum transport Phys. Rev. B 2007, 75, 075102
36. Koentopp, M.; Burke, K.; Evers, F. Zero-bias molecular electronics: exchange-correlation corrections to Landauer's formula Phys. Rev. B 2006, 73, 121403
37. Ferretti, A.; Calzolari, A.; Di Felice, R.; Manghi, F.; Caldas, M. J.; Nardelli, M. B.; Molinari, E. First-principles theory of correlated transport through nanojunctions Phys. Rev. Lett. 2005, 94, 116802
38. Thygesen, K. S.; Rubio, A. Renormalization of molecular quasiparticle levels at metal-molecule interfaces: trends across binding regimes Phys. Rev. Lett. 2009, 102, 046802
39. Li, Z.; Kosov, D. S. Nature of well-defined conductance of amine-anchored molecular junctions: density functional calculations Phys. Rev. B 2007, 76, 035415