Electronic and optical properties of neutral and charged MEH-PPV

Computational Materials Science

Volumn 39, Issue 3, 2007, Pages 575-579

  Li, Yuanzuo ^a   Sun, Yu ^a   Li, Yongqing ^a   Ma, Fengcai ^a  

^a LIAONING UNIVERSITY   (China)

Author keywords

The charge difference densities; The intramolecular charge transfer; The MEH PPV; Transition densities

Indexed keywords

ELECTRIC PROPERTIES; EXCITED STATES; MOLECULAR DYNAMICS; OPTICAL PROPERTIES; PHASE TRANSITIONS; QUANTUM THEORY;

CHARGE DIFFERENCE DENSITIES; INTRAMOLECULAR CHARGE TRANSFER; MEH-PPV; TRANSITION DENSITIES;

POLYMER BLENDS;

EID: 34247145994     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.08.012     Document Type: Article

References (46)

1. Burroughes J.H., Bradley D.D.C., Brown A.R., Marks R.N., Mackay K., Friend R.H., Burn P.L., and Holems A.B. Nature 347 (1990) 539
2. Friend R.H., Gymer R.W., Holmes A.B., Burroughes J.H., Marks R.N., Taliani C., Bradley D.D.C., Dos Santos D.A., Brédas J.L., Lögdlund M., and Salaneck W.R. Nature 397 (1999) 121
3. Jager E.W.H., Smela E., and Inganäs O. Science 290 (2000) 1540
4. Schwartz B.J. Annu. Rev. Phys. Chem. 54 (2003) 141
5. Yu J., Hu D.H., and Barbara P.F. Science 289 (2000) 1327
6. Nuyen T.Q., Wu J.J., Doan V., Schwartz B.J., and Tolbert S.H. Science 288 (2000) 652
7. Hu D.H., Yu J., Wong K., Bagchi B., Rossky P.J., and Barbara P.F. Nature 405 (2000) 1030
8. Tessler N., Medvedev V., Kazes M., Kan S.H., and Banin U. Science 295 (2002) 1506
9. Grage M.M.L., Wood P.W., Ruseckas A., Pullerits T., Mitchell W., Burn P.L., Samuel I.D.W., and Sundström V. J. Chem. Phys. 118 (2003) 7644
10. Wachsmann-Hogiu S., Peteanu L.A., Liu L.A., Yaron D.J., and Wildeman J. J. Phys. Chem. B. 107 (2003) 5133
11. Martini I.B., Smith A.D., and Schwartz B.J. Phys. Rev. B 69 (2004) 35204
12. Burrows H.D., Miguel M.d.G., Monkman A.P., Horsburgh L.E., Hamblett I., and Navaratnam S. J. Chem. Phys. 112 (2000) 3082
13. Candeias L.P., Grozema F.C., Padmanaban G., Ramakrishnan S., Siebbeles L.D.A., and Warman J.M. J. Phys. Chem. B 107 (2003) 1554
14. Burrows H.D., Miguel M.D., Monkman A.P., Hamblett I., and Navaratnam S. J. Mol. Struct. 563 (2001) 41
15. Hendry E., Schins J.M., Candeias L.P., Siebbeles L.D.A., and Bonn M. Phys. Rev. Lett. 92 (2004) 196601
16. Yu Z.H., and Barbara P.F. J. Phys. Chem. B 108 (2004) 11321
17. Baldo M.A., Thompson M.E., and Forrest S.R. Nature 403 (2000) 750
18. Mukamel S., Tretiak S., Wagersreiter T., and Chernyak V. Science 277 (1997) 781
19. Sun M.T. J. Chem. Phys. 124 (2006) 054903
20. Sun M.T., Kjellberg P., Ma F.C., and Pullerits T. Chem. Phys. Lett. 401 (2005) 558
21. Wilson J.S., Dhoot A.S., Seeley A.J.A.B., Khan M.S., Köhler A., and Friend R.H. Nature 413 (2001) 828
22. Lidzey D.G., Bradley D.D.C., Skolnick M.S., Virgili T., Walker S., and Whittaker D.M. Nature 395 (1998) 53
23. Karabunarliev S., and Bittner E.R. Phys. Rev. Lett. 90 (2003) 57402
24. Karabunarliev S., and Bittner E.R. J. Phys. Chem. B 108 (2004) 10219
25. Basko D.M., and Conwell E.M. Phys. Rev. B 66 (2002) 155210
26. Silva C., Dhoot A.S., Russell D.M., Stevens M.A., Arias A.C., MacKenzie J.D., Greenham N.C., and Friend R.H. Phys. Rev. B 64 (2001) 125211
27. Sun M.T., and Ma F.C. J. Theo. Comput. Chem. 5 (2006) 163
28. Sun M.T., Song P., Chen Y.H., and Ma F.C. Chem. Phys. Lett. 416 (2005) 94
29. Sun M.T. Chem. Phys. Lett. 408 (2005) 128
30. Persson N.K., Sun M.T., Kellberg P., Pullerits T., and Inganäs O. J. Chem. Phys. 123 (2005) 204718
31. Sun M.T., Li Y.Z., and Ma F.C. Chem. Phys. Lett. 412 (2005) 425
32. Beenken W.J.D., and Pullerits T.J. Phys. Chem. B 108 (2004) 6164
33. Sun M.T., Chem Y.H., Song P., and Ma F.C. Chem. Phys. Lett. 413 (2005) 110
34. Sun M.T., Pullerits T., Kjellberg P., and Beenken W.J.D. J. Phys. Chem. A 110 (2006) 6302
35. Sun M.T. Chem. Phys. 320 (2006) 155
36. Campbell I.H., Smith D.L., Tretiak S., Martin R.L., Neef C.J., and Ferraris J.P. Phys. Rev. B 65 (2002) 85210
37. Becke A.D. J. Chem. Phys. 98 (1993) 5648
38. Stratmann R.E., Scuseria G.E., and Frisch M.J. J. Chem. Phys. 109 (1998) 8218
39. Petersilka M., Grossmann U.J., and Gross E.K.U. Phys. Rev. Lett. 76 (1996) 1212
40. Frisch M.J., et al. Gaussian 03, Revision B.05 (2003), Gaussian, Inc., Pittsburgh PA
41. Sun M.T., Kjellberg P., Beenken W.J.D., and Pullerits T. Chem. Phys. 327 (2006) 474
42. Sun M.T. Int. J. Quantum. Chem. 106 (2006) 1020
43. Grage M.M.-L., Wood P.W., Ruseckas A., Pullerits T., Mitchell W., Burn P.L., Samuel I.D.W., and Sundström V. J. Chem. Phys. 118 (2003) 7644
44. Martin R.L., Kress J.D., Campbell I.H., and Smith D.L. Phys. Rev. B 61 (2001) 15804
45. Tretiak S., Igumenshchev K., and Chernyak V. Phys. Rev. B 71 (2005) 033201
46. Yang Y., Pei Q., and Heeger A.J. Synth. Met. 78 (1996) 263