The effect of constitutional and conformational isomerization on the electrical properties of diblock molecular diode

Organic Electronics

Volumn 12, Issue 6, 2011, Pages 1080-1092

  El Hendawy, Morad M ^a   El Nahas, Ahmed M ^a   Awad, Mohamed K ^b  

^a Menoufia University   (Egypt)

^b Tanta University   (Egypt)

Author keywords

Constitutional and conformational isomery; Current voltage curve; DFT; Electric field; Molecular diode; NEFG

Indexed keywords

CURRENT VOLTAGE CHARACTERISTICS; DENSITY FUNCTIONAL THEORY; DIODES; ELECTRIC FIELDS; ISOMERIZATION; ISOMERS; MOLECULES;

CONFORMATIONAL ANALYSIS; CONFORMATIONAL ISOMERIZATION; CONSTITUTIONAL AND CONFORMATIONAL ISOMERY; CURRENT VOLTAGE CURVE; MOLECULAR DIODES; NEFG; NON-EQUILIBRIUM GREEN'S FUNCTION; RECTIFICATION EFFICIENCY;

CONFORMATIONS;

EID: 79953885209     PISSN: 15661199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orgel.2011.03.022     Document Type: Article

References (57)

1. C. Majumder, H. Mizuseki, and Y. Kawazoe J. Phys. Chem. A 105 2001 9454
2. J.L. Rao Acta Chim. Slov. 56 2009 826
3. H. Mizuseki, K. Niimura, C. Majumder, R.V. Belosludov, A.A. Farajian, and Y. Kawazoe Mol. Cryst. Liq. Cryst. 406 2003 11
4. J.M. Tour, M. Kozaki, and J.M. Seminario J. Am. Chem. Soc. 120 2001 8486
5. Z.J. Donhauser, B.A. Mantooth, K.F. Kelly, L.A. Bumm, J.D. Monnell, J.J. Stapleton, D.W. Price, A.M. Rawlett, D.L. Allara, J.M. Tour, and P.S. Weiss Science 292 2001 2303
6. J. Chen, M.A. Reed, A.M. Rawlett, and J.M. Tour Science 286 1999 1550
7. A. Staykov, D. Nozaki, and K. Yoshizawa J. Phys. Chem. C 111 2007 11699
8. J. Taylor, M. Brandbyge, and K. Stokbro Phys. Rev. Lett. 89 2002 138301
9. J.G. Kushmerick, C.M. Whitaker, S.K. Pollack, T.L. Schull, and R. Shashidhar Nanotechnology 15 2004 S489
10. X. Yin, H. Liu, and J. Zhao J. Chem. Phys. 125 2006 094711
11. I. Díez-Pérez, J. Hihath, Y. Lee, L.P. Yu, L. Adamska, M.A. Kozhushner, I.I. Oleynik, and N.J. Tao Nat. Chem. 1 2009 635
12. M.K. Ng, and L.P. Yu Angew. Chem. Int. Ed. Engl. 41 2002 3598
13. M.K. Ng, D.C. Lee, and L.P. Yu J. Am. Chem. Soc. 124 2002 11862
14. G.M. Morales, P. Jiang, S. Yuan, Y. Lee, A. Sanchez, W. You, and L. Yu J. Am. Chem. Soc. 127 2005 10456
15. P. Jiang, G.M. Morales, W. You, and L. Yu Angew. Chem., Int. Ed. Engl. 43 2004 4471
16. Y. Lee, B. Carsten, and L. Yu Langmuir 25 2009 1495
17. Y. Liang, H. Wang, S. Yuan, Y. Lee, L. Gan, and L. Yu J. Mater. Chem. 17 2007 2183
18. Z.L. Gasyna, G.M. Morales, A. Sanchez, and L. Yu Chem. Phys. Lett. 417 2006 401
19. I.I. Oleynik, M.A. Kozhushner, V.S. Posvyanskii, and L. Yu Phys. Rev. Lett. 96 2006 096803
20. J. Huang, Q. Li, Z. Li, and J. Yang J. Nanosci. Nanotechnol. 9 2009 774
21. Y.W. Li, J.H. Yao, C.L. Yang, S.K. Zhong, and G.P. Yin Mol. Simul. 35 2009 301
22. M.M. El-Hendawy, A.M. El-Nahas, and M.K. Awad J. Phys. Chem. C 114 2010 21728
23. W.W. Cheng, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe Physica E 25 2005 643
24. P.A. Priya, C.P. Kala, and D.J. Thiruvadigal J. Comput. Theor. Nano. 6 2009 1697
25. Y. Li, J. Zhao, and G. Yin Comput. Mater Sci. 93 2007 775
26. Y. Li, J. Zhao, X. Yin, and G. Yin J. Phys. Chem. A 110 2006 11130
27. A. Saraiva-Souza, B.G. Sumpter, V. Meunier, A.G. Souza, and J. Del Nero J. Phys. Chem. C 112 2008 12008
28. Y. Zhang, Y. Ye, Y. Li, X. Yin, H. Liu, and J. Zhao J. Mol. Struct. (theochem) 802 2007 53
29. S. Dutta, and S.K. Pati Resonance 14 2009 80
30. Y.F. Ye, M.L. Zhang, H.M. Liu, X.W. Liu, and J.W. Zhao J. Phys. Chem. Solids 69 2008 2615
31. H. Sabzyan, and D. Farmanzadeh J. Comput. Chem. 28 2007 922
32. S. Hou, J. Zhang, R. Li, J. Ning, R. Han, Z. Shen, X. Zhao, Z. Xue, and Q. Wu Nanotechnology 16 2005 239
33. J. Zhao, C. Yu, N. Wang, and H. Liu J. Phys. Chem. C 114 2010 4135
34. H. Liu, P. Li, J. Zhao, X. Yin, and H. Zhang J. Chem. Phys. 129 2008 224704
35. R. Stadler, V. Geskin, and J. Cornil J. Phys.: Condens. Matter 20 2008 374105
36. R.G. Parr, L.V. Szentpaly, and S. Liu J. Am. Chem. Soc. 121 1999 1922
37. A.D. Becke J. Chem. Phys. 98 1993 5648
38. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
39. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
40. 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 D.01; Gaussian, Inc., Wallingford, CT, 2004.
41. X. Yin, Y. Li, Y. Zhang, P. Li, and J. Zhao Chem. Phys. Lett. 422 2006 111
42. X. Yin, H. Liu, and J. Zhao J. Chem. Phys. 125 2006 094711
43. M. Kondo, T. Tada, and K. Yoshizawa J. Phys. Chem. A 108 2004 9143
44. H. Grcnbeck, A. Curioni, and W. Andreoni J. Am. Chem. Soc. 122 2000 3839
45. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 288
46. J.P. Perdew, and A. Zunger Phys. Rev. B 23 1981 5048
47. ATK version 2.0, Atomistix A/S (www.atomistix.com ).
48. M. Brandbyge, J.-L. Mozos, P. Ordejón, J. Taylor, and K. Stokbro Phys. Rev. B 65 2002 165401
49. C. Majumder, H. Mizuseki, and Y. Kawazoe Jpn. J. Appl. Phys. 41 2002 2770
50. J.C. Ellenbogen, and J.C. Love Proc. IEEE 88 2000 386
51. R. Stadler J. Phys: Conf. Ser. 61 2007 1097
52. G. Peng, M. Strange, K.S. Thygesen, and M.J. Mavrikakis Phys. Chem. C 113 2009 20967
53. G.-P. Charbonneau, and Y. Delugeard Acta Crystallogr. B 32 1976 1420
54. A. Almenningen, O. Bastiansen, L. Fernholt, B.N. Cyvin, S.J. Cyvin, and S.J. Samdal Mol. Struct. (theochem) 128 1985 59
55. F. Grein J. Phys. Chem. A 106 2002 3823
56. C. Majumder, T. Briere, H. Mizuseki, and Y. Kawazoe J. Phys. Chem. A 106 2002 7911
57. J.M. Seminario, and P.A. Derosa J. Am. Chem. Soc. 123 2001 12418