Electrical rectification through cumulenic bridge: A computational study

Synthetic Metals

Volumn 148, Issue 3, 2005, Pages 227-235

  Sitha, Sanyasi ^a   Bhanuprakash, K ^a   Choudary, B M ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

Conductor; Cumulenes; HOMO LUMO gap (HLG); Molecular electronics; Potential drop (PD); Rectifier

Indexed keywords

CUMULENES; HOMO-LUMO GAP (HLG); MOLECULAR ELECTRONICS; POTENTIAL DROP;

CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRIC RECTIFIERS; ELECTRODES; ELECTRON TUNNELING; SEMICONDUCTOR DIODES;

MOLECULES;

EID: 11244281128     PISSN: 03796779     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.synthmet.2004.09.039     Document Type: Article

References (76)

1. D. GoldhaberGordon, M.S. Montemerlo, J.C. Love, and G.J. Opiteck Proc. IEEE 85 1997 521
2. J.R. Barker M. Petty D. Bloor M. Bryce Molecular Electronic Logic and Architectures in Introduction to Molecular Electronics 1995 Edward Arnold London 345 (Chapter 16)
3. M.C. Petty Introduction to Molecular Electronics 1995 Oxford University Press Oxford, UK
4. F.L. Carter Molecular Electronic Devices 1982 Marcel Dekker Inc. New York, USA
5. J. Jortner M.A. Ratner Molecular Electronics 1997 Blackwell Oxford, UK
6. A. Aviram Molecular Electronics - Science and Technology 1992 AIP New York, USA
7. S. Roth, and C. Joachim Atomic and Molecular Wires 1997 Kluwer Dordrecht, Germany
8. K. Kwok, and J.C. Ellenbogen Mater. Today 5 2002 28
9. M.A. Ratner Mater. Today 5 2002 20
10. C.A. Mirkin, and M.A. Ratner Annu. Rev. Phys. Chem. 43 1992 719
11. http://www.darpa.mil/MTO/mole/
12. A. Aviram, and M.A. Ratner Chem. Phys. Lett. 29 1974 277
13. C. Jaochim, J.K. Gimzewski, and A. Aviram Nature 408 2000 541
14. C.P. Collier, E.W. Wong, M. Belohradsky, F.M. Raymo, J.F. Stoddart, P.J. Kuekes, R.S. Williams, and J.R. Heath Science 285 1999 391
15. C.P. Collier, G. Mattersteig, E.W. Wong, Y. Luo, K. Beverly, J. Sampaio, F.M. Raymo, J.F. Stoddart, and J.R. Heath Science 289 2000 1172
16. J. Chen, M.A. Reed, A.M. Rawlett, and J.M. Tour Science 286 1999 1550
17. T.A. Jung, R.R. Schlittler, J.K. Gimzewski, H. Tang, and C. Joachim Science 271 1996 181
18. M. Pomerantz, A. Aviram, R.A. McCorkle, L. Li, and A.G. Schrott Science 255 1992 1115
19. W. Tian, S. Datta, S. Hong, R. Reifenberger, J.I. Henderson, and C. Kubiak J. Chem. Phys. 109 1997 2874
20. E. Emberly, and G. Kirczenow Phys. Rev. B 58 1998 10911
21. A. Onipko Phys. Rev. B 59 1999 9995
22. M. Di Ventra, S.T. Pantelides, and N.D. Lang Phys. Rev. Lett. 84 2000 979
23. Y. Xue, S. Datta, and M.A. Ratner J. Chem. Phys. 115 2001 4292
24. P. Damle, A. W. Ghosh, S. Datta, Cond-Mat/0206551.
25. F.-R.F. Fan, R.Y. Lai, J. Cornil, Y. Karzazi, J.-L. Bredas, L. Cai, L. Cheng, Y. Yao, D.W. Price Jr., S.M. Dirk, J.M. Tour, and A.J. Bard J. Am. Chem. Soc. 126 2004 2568
26. G. Pourtois, D. Beljonne, J. Cornil, M.A. Ratner, and J.-L. Bredas J. Am. Chem. Soc. 124 2002 4436
27. J. Cornil, Y. Karzazi, and J.-L. Bredas J. Am. Chem. Soc. 124 2002 3516
28. Y. Karzazi, J. Cornil, and J.-L. Bredas J. Am. Chem. Soc. 123 2001 10076
29. S. Kubatkin, A. Danilov, M. Hjort, J. Cornil, J.L. Brédas, N. Stuhr-Hansen, P. Hedegard, and T. Bjørnholm Nature 425 2003 698
30. J.L. Brédas, J.P. Calbert, and D.A. da Silva Filho J. Cornil, PNAS USA 99 2002 5804
31. N.J. Geddes, J.R. Sambles, D.J. Jarvis, W.G. Parker, and D.J. Sandman Appl. Phys. Lett. 56 1990 1916
32. N.J. Geddes, J.R. Sambles, D.J. Jarvis, W.G. Parker, and D.J. Sandman J. Appl. Phys. 71 1992 756
33. A.S. Martin, J.R. Sambles, and G.J. Ashwell Phys. Rev. Lett. 70 1993 218
34. B. Chen, and R.M. Metzger J. Phys. Chem. B 103 1999 4447
35. D. Vuillaume, B. Chen, and R.M. Metzger Langmuir 15 1999 4011
36. R.M. Metzger Acc. Chem. Res. 32 1999 950
37. R.M. Metzger, T. Xu, and R. Peterson J. Phys. Chem. B 105 2001 7280
38. R. Rinaldi Appl. Phys. Lett. 82 2003 472
39. C. Majumder, H. Mizuseki, and Y. Kawazoe J. Phys. Chem. A 105 2001 9454
40. H. Mizuseki, N. Igarashi, C. Majumder, R.V. Belosludov, A.A. Farajian, and Y. Kawazoe Thin Solid Films 438-439 2003 235
41. H. Mizuseki, K. Niimura, C. Majumder, and Y. Kawazoe Comput. Mater. Sci. 27 2003 161
42. J.C. Ellenbogen, and J.C. Love Proc. IEEE 88 2000 386
43. P.E. Kornilovitch, A.M. Bratkovsky, R.S. Williams, Cond-Mat/0206002.
44. C. Krzeminski, C. Delerue, G. Allan, D. Vuillaume, and R.M. Metzger Phys. Rev. B 64 2001 85405
45. R.M. Metzger J. Mater. Chem. 9 1999 2027
46. R.M. Metzger J. Mater. Chem. 10 2000 55
47. K. Walczak, Cond-Mat/0305493.
48. A.M. Kuznetsov, and J. Ulstrup J. Electroanal. Chem. 564 2004 209
49. L. Brandsma Synthesis of Acetylenes 2003 Allenes and Cumulenes, Academic Press Oralndo
50. J.P. Varghese, P. Knochel, and M. Marek Org. Lett. 2 2000 2849
51. A. Jansen, and N. Krause Synthesis 2002 1987
52. S. Thorand, F. Vögtle, and N. Krause Angew. Chem. Int. Ed. 38 1999 3721
53. A.G. Myers, and B. Zheng J. Am. Chem. Soc. 118 1996 4492
54. S. Patai The Chemistry of Ketenes, Allenes, and Related Compounds 1980 Wiley New York
55. S.R. Landor The Chemistry of the Allenes 1982 Academic Press London
56. I.D.L. Albert, D. Pugh, J.O. Morley, and S. Ramasesha J. Phys. Chem. 96 1992 10160
57. J.O. Morley J. Phys. Chem. 99 1995 10166
58. W. Zhu, and Y. Jiang Phys. Chem. Chem. Phys. 1 1999 4169
59. I. Kminek, J. Klimovic, and P.N. Prasad Chem. Mater. 5 1993 357
60. P. Norman, Y. Luo, and H. gren J. Chem. Phys. 111 1999 7758
61. N.D. Lang Phys. Rev. B 52 1995 5335
62. N.D. Lang Phys. Rev. Lett. 79 1997 1357
63. N.D. Lang, and Ph. Avouris Phys. Rev. Lett. 84 2000 358
64. B. Bildstein, O. Loza, and Y. Chizhov Organometallics 23 2004 1825
65. W. Skibar, H. Kopacka, K. Wurst, C. Salzmann, K.-H. Ongania, F. Fabrizi de Biani, P. Zanello, and B. Bildstein Organometallics 23 2004 1024
66. C. Majumder, H. Mizuseki, and Y. Kawazoe Jpn. J. Appl. Phys. 41 2002 2770
67. C. Majumder, T. Briere, H. Mizuseki, and Y. Kawazoe J. Phys. Chem. A 106 2002 7911
68. J. Li, J.K. Tomfohr, and O.F. Sankey Physica E 19 2003 133
69. G.K. Ramachandran, J.K. Tomfohr, J. Li, O.F. Sankey, X. Zarate, A. Primak, Y. Terazono, T.A. Moore, A.L. Moore, D. Gust, L.A. Nagahara, and S.M. Lindsay J. Phys. Chem. B. 107 2003 6162
70. A.D. Becke J. Chem. Phys. 98 1993 5648
71. A.D. Becke J. Chem. Phys. 104 1996 1040
72. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
73. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian 03, Revision A.1 2003 Gaussian Inc. Pittsburgh PA
74. J.M. Seminario, A.G. Zacarias, and J.M. Tour J. Am. Chem. Soc. 122 2000 3015
75. R.G. Parr, and W. Yang Density-Functional Theory of Atoms and Molecules 1989 Oxford University Press New York
76. J. March Advanced Organic Chemistry 1987 Wiley Eastern