Effect of dihydropyrazine on structures and charge transport properties of N-heteropentacenes matters: A theoretical investigation

Organic Electronics

Volumn 13, Issue 12, 2012, Pages 2832-2842

  Chen, Xian Kai ^a   Zou, Lu Yi ^a   Fan, Jian Xun ^a   Zhang, Shou Feng ^a   Ren, Ai Min ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Carrier mobility; Charge transport; Kinetic Monte Carlo simulation; N heteropentacenes; Organic field effect transistors

Indexed keywords

CARRIER MOBILITY; CARRIER TRANSPORT; CHARGE INJECTION; CHARGE TRANSFER; CRYSTAL ATOMIC STRUCTURE; ELECTRONIC STRUCTURE; HOLE MOBILITY; INTELLIGENT SYSTEMS; MOLECULES; MONTE CARLO METHODS; ORGANIC FIELD EFFECT TRANSISTORS; SINGLE CRYSTALS; TRANSPORT PROPERTIES;

BROWNIAN DIFFUSION; INTERMOLECULAR INTERACTIONS; KINETIC MONTE CARLO SIMULATION; MARCUS ELECTRON TRANSFER THEORY; MOLECULAR STACKING; P-TYPE ORGANIC SEMICONDUCTORS; THEORETICAL INVESTIGATIONS; TRIPLET STATE ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 84867237797     PISSN: 15661199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orgel.2012.08.035     Document Type: Article

References (53)

1. C.W. Tang, and S.A. VanSlyke Applied Physics Letters 51 1987 913
2. P.K.H. Ho, J.S. Kim, J.H. Burroughes, H. Becker, S.F.Y. Li, T.M. Brown, F. Cacialli, and R.H. Friend Nature 404 2000 481
3. H.E. Katz Journal of Materials Chemistry 7 1997 369
4. G. Horowitz, and M.E. Hajlaoui Advanced Materials 12 2000 1046
5. C.R. Newman, C.D. Frisbie, D.A. da Silva Filho, J.-L. Brédas, P.C. Ewbank, and K.R. Mann Chemistry of Materials 16 2004 4436
6. F. Padinger, R.S. Rittberger, and N.S. Sariciftci Advanced Functional Materials 13 2003 85
7. C.J. Brabec, N.S. Sariciftci, and J.C. Hummelen Advanced Functional Materials 11 2001 15
8. V. Coropceanu, J. Cornil, D.A. da Silva Filho, Y. Olivier, R. Silbey, and J.-L. Bredas Chemical Reviews 107 2007 926
9. V.C. Sundar, J. Zaumseil, V. Podzorov, E. Menard, R.L. Willett, T. Someya, M.E. Gershenson, and J.A. Rogers Science 303 2004 1644
10. M.E. Gershenson, V. Podzorov, and A.F. Morpurgo Reviews of Modern Physics 78 2006 973
11. U.H.F. Bunz Chemistry-A European Journal 15 2009 6780
12. Q. Miao Synlett 2012 326
13. Y.Y. Liu, C.L. Song, W.J. Zeng, K.G. Zhou, Z.F. Shi, C.B. Ma, F. Yang, H.L. Zhang, and X. Gong Journal of the American Chemical Society 132 2010 16349
14. S. Miao, S.M. Brombosz, P.v.R. Schleyer, J.I. Wu, S. Barlow, S.R. Marder, K.I. Hardcastle, and U.H.F. Bunz Journal of the American Chemical Society 130 2008 7339
15. Q. Tang, Z. Liang, J. Liu, J. Xu, and Q. Miao Chemical Communications 46 2010 2977
16. Z. Liang, Q. Tang, J. Liu, J. Li, F. Yan, and Q. Miao Chemistry of Materials 22 2010 6438
17. Z. Liang, Q. Tang, J. Xu, and Q. Miao Advanced Materials 23 2011 1535
18. Z. Liang, Q. Tang, R. Mao, D. Liu, J. Xu, and Q. Miao Advanced Materials 23 2011 5514
19. M. Winkler, and K.N. Houk Journal of the American Chemical Society 129 2007 1805
20. X.-K. Chen, J.-F. Guo, L.-Y. Zou, A.-M. Ren, and J.-X. Fan Journal of Physical Chemistry C 115 2011 21416
21. Z. He, D. Liu, R. Mao, Q. Tang, and Q. Miao Organic Letters 14 2012 1050
22. Y.M. Sun, Y.Q. Liu, and D.B. Zhu Journal of Materials Chemistry 15 2005 53
23. M.J. Tauber, R.F. Kelley, J.M. Giaimo, B. Rybtchinski, and M.R. Wasielewski Journal of the American Chemical Society 128 2006 1782
24. J.L. Bredas, D. Beljonne, V. Coropceanu, and J. Cornil Chemical Reviews 104 2004 4971
25. X. Yang, L. Wang, C. Wang, W. Long, and Z. Shuai Chemistry of Materials 20 2008 3205
26. X. Yang, Q. Li, and Z. Shuai Nanotechnology 18 2007
27. M.S. Nam, A. Ardavan, R.J. Cava, and P.M. Chaikin Applied Physics Letters 83 2003 4782
28. R.W.I. de Boer, M. Jochemsen, T.M. Klapwijk, A.F. Morpurgo, J. Niemax, A.K. Tripathi, and J. Pflaum Journal of Applied Physics 95 2004 1196
29. A.J. Epstein, W.P. Lee, and V.N. Prigodin Synthetic Metals 117 2001 9
30. R.A. Marcus Annual Review of Physical Chemistry 15 1964 155
31. J.E. Norton, and J.-L. Bredas Journal of the American Chemical Society 130 2008 12377
32. M.-Y. Kuo, H.-Y. Chen, and I. Chao Chemistry-A European Journal 13 2007 4750
33. Y. Geng, J. Wang, S. Wu, H. Li, F. Yu, G. Yang, H. Gao, and Z. Su Journal of Materials Chemistry 21 2011 134
34. C.-H. Li, C.-H. Huang, and M.-Y. Kuo Physical Chemistry Chemical Physics 13 2011 11148
35. M.C.R. Delgado, E.-G. Kim, D.A. da Silva Filho, and J.-L. Bredas Journal of the American Chemical Society 132 2010 3375
36. X.-K. Chen, L.-Y. Zou, J.-F. Guo, and A.-M. Ren Journal of Materials Chemistry 22 2012 6471
37. M.J.T. Frisch, G.W. Schlegel, H.B. Scuseria, G.E. Robb, M.A. Cheeseman, J.R. Montgomery, J.A. Vreven, Jr., T. Kudin, K.N. Burant, J.C. Millam, J.M. Iyengar, S.S. Tomasi, J. Barone, V. Mennucci, B. Cossi, M. Scalmani, G. Rega, N. Petersson, G.A. Nakatsuji, H. Hada, M. Ehara, M. Toyota, K. Fukuda, R. Hasegawa, J. Ishida, M. Nakajima, T. Honda, Y. Kitao, O. Nakai, H. Klene, M. Li, X. Knox, J.E. Hratchian, H.P. Cross, J.B. Bakken, V. Adamo, C. Jaramillo, J. Gomperts, R. Stratmann, R.E. Yazyev, O. Austin, A.J. Cammi, R. Pomelli, C. Ochterski, J.W. Ayala, P.Y. Morokuma, K. Voth, G.A. Salvador, P. Dannenberg, J.J. Zakrzewski, V.G. Dapprich, S. Daniels, A.D. Strain, M.C. Farkas, O. Malick, D.K. Rabuck, A.D. Raghavachari, K. Foresman, J.B. Ortiz, J.V. Cui, Q. Baboul, A.G. Clifford, S. Cioslowski, J. Stefanov, B.B. Liu, G. Liashenko, A. Piskorz, P. Komaromi, I. Martin, R.L. Fox, D.J. Keith, T.Al. Laham, M.A. Peng, C.Y. Nanayakkara, A. Challacombe, M. Gill, P.M.W. Johnson, B. Chen, W. Wong, M.W. Gonzalez, C. Pople, J.A., Gaussian 09, revision A.02, Gaussian, 2009.
38. K. Senthilkumar, F.C. Grozema, F.M. Bickelhaupt, and L.D.A. Siebbeles Journal of Chemical Physics 119 2003 9809
39. E.F. Valeev, V. Coropceanu, D.A. da Silva Filho, S. Salman, and J.-L. Bredas Journal of the American Chemical Society 128 2006 9882
40. J.S. Huang, and M. Kertesz Chemical Physics Letters 390 2004 110
41. G.T. Velde, F.M. Bickelhaupt, E.J. Baerends, C.F. Guerra, S.J.A. Van Gisbergen, J.G. Snijders, and T. Ziegler Journal of Computational Chemistry 22 2001 931
42. L. Wang, G. Nan, X. Yang, Q. Peng, Q. Li, and Z. Shuai Chemical Society Reviews 39 2010 423
43. S.S. Zade, and M. Bendikov Chemistry-A European Journal 14 2008 6734
44. Y. Wen, and Y. Liu Advanced Materials 22 2010 1331
45. S.E. Koh, C. Risko, D.A. da Silva Filho, O. Kwon, A. Facchetti, J.-L. Bredas, T.J. Marks, and M.A. Ratner Advanced Functional Materials 18 2008 332
46. J.E. Norton, and J.-L. Bredas Journal of Chemical Physics 128 2008
47. J.L. Bredas, J.P. Calbert, D.A. da Silva, and J. Cornil Proceedings of the National Academy of Sciences of the United States of America 99 2002 5804
48. T. Vehoff, B.R. Baumeier, A. Troisi, and D. Andrienko Journal of the American Chemical Society 132 2010 11702
49. M. Mas-Torrent, and C. Rovira Chemical Reviews 111 2011 4833
50. A. Troisi Organic Electronics 12 2011 1988
51. J.-D. Huang, S.-H. Wen, W.-Q. Deng, and K.-L. Han Journal of Physical Chemistry B 115 2011 2140
52. D. Kim, V. Coropceanu, and J.-L. Bredas Journal of the American Chemical Society 133 2011 17895
53. S. Salrnan, D. Kim, V. Coropceanu, and J.-L. Bredas Chemistry of Materials 23 2011 5223