Modeling of the solid-state packing of charged chains (PEDOT) in the presence of the counterions (TSA) and the solvent (DEG)

Theoretical Chemistry Accounts

Volumn 119, Issue 4, 2008, Pages 305-312

  Dkhissi, A ^a,b,c   Beljonne, D ^a   Lazzaroni, R ^a   Louwet, F ^d   Groenendaal, B ^d  

^a UNIVERSITY OF MONS   (Belgium)

^b LAAS CNRS   (France)

^c INSTITUT D ELECTRONIQUE   (France)

^d AGFA GEVAERT N V   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 39749105329     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0384-5     Document Type: Article

References (31)

1. Friend RH, Gymer RW, Holmes AB, Staring EGJ, Marks RN, Taliani C, Bradley DDC, dos Santos DA, Brédas JB, Lögdlund M and Salaneck WR (1999). Nature 397: 121
2. Groenendaal L, Jonas F, Freitag D, Pielartzik H and Reynolds R (2000). Adv Mater 12: 481
3. Groenendaal L, Zotti G, Auber PH, Waybright SM, Reynolds R (2003) Adv Mater 15:855 [for more info on AGFA's PEDOT/PSS (ORGACON) products, see http://www.agfa.com/sfc/polymer]
4. Heywang G and Jonas F (1992). Adv Mater 4: 116
5. Dietrich M, Heinze J, Heywang G and Jonas F (1994). J Electroanal Chem 369: 87
6. Jonas F and Heywang G (1994). Electrochim Acta 39: 1345
7. Yamato H, Ohwa M and Wernet W (1995). J Electroanal Chem 397: 163
8. Ehrendorfer Ch and Karpfen A (1994). J Phys Chem 98: 7492
9. Lefebvre M, Qi Z, Rana D and Pickup PG (1999). Chem Mater 11: 262
10. Li G and Pickup PG (2000). Phys Chem Chem Phys 2: 1255
11. Kim JY, Hung JH, Lee DE and Joo J (2002). Synth Met 126: 311
12. Crispin X, Marcinial S, Osikowicz W, Zotti G, van der Gon AWD, Louwet F, Fahlman M, Groenendaal L, de Schryver F and Salaneck WR (2003). J Pol Sci B 41: 2561
13. Huang J, Miller PF, Bradley DDC, Mello JC and Mello AJ (2003). Synth Met 139: 569
14. Jonsson SKM, Birgersson Crispin X, Greczynsky G, Osikowicz W, Salaneck WR, Fahlman M and van der Gon AWD (2003). Synth Met 139: 1
15. Ghosh S and Inganas O (2001). Synth Met 121: 11321
16. Touwslager FJ, Willard NP and leew DM (2003). Synth Met 1135: 53
17. Aasmundtveit KE, Samuelsen EJ, Pettersson LAA, Inganas O, Johansson T and Feidenhans R (1999). Synth Met 101: 561
18. Niu L, Kvarnstrom C, Froberg K and Ivaska A (2001). Synth Met 122: 425
19. Dkhissi A, Beljonne D, Lazzaroni R, Louwet F, Groenendaal B and Bredas JL (2003). Int J Quant Chem 91: 517
20. Dkhissi A, Louwet F, Groenendaal L, Beljonne D, Lazzaroni R and Bredas JL (2002). Chem Phys Lett 359: 466
21. Geskin VM, Dkhissi A and Bredas JL (2003). Int J Quant Chem 91: 350
22. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA Jr, Stratmann RE, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz JV, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Challacombe M, Gill PMW, Johnson BG, Chen W, Wong MW, Andres JL, Head-Gordon M, Replogle ES and Pople JA (1998). Gaussian 98, Revision A.7. Gaussian, Inc., Pittsburgh
23. Moro G, Scalmani G, Cosentino U and Pitea D (2000). Synth Met 108: 165
24. Brocks G (1999) Synth Met 102914
25. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III and Skiff WM (1992). J Am Chem Soc 114: 10024
26. Casewit CJ, Colwell KS and Rappe AK (1992). J Am Chem Soc 114: 10035
27. Casewit CJ, Colwell KS and Rappe AK (1992). J Am Chem Soc 114: 10046
28. Leclere Ph, Hennebicq E, Calderone A, Brocorens P, Grimsdale AC, Mullen K, Bredas JL and Lazzaroni R (2003). Prog Polym Sci 28: 55
29. Dkhissi A, Adamowicz L and Maes G (2000). J Phys Chem A 104: 2112
30. Dkhissi A and Blossey R (2007). Chem Phys Lett 439: 35
31. Crispin X, Jakobsson FLE, Crispin A, Grim PCM, Andersson A, Volodin A, van der Auweraer M, Salaneck WR, Berggren M and Haesendonck C (2006). Chem Mater 18: 4354