Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from ab initio calculations

Nano Letters

Volumn 7, Issue 7, 2007, Pages 1967-1972

  Kanai, Yosuke ^a   Grossman, Jeffrey C ^a  

^a University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC ELECTRON TRANSFER; BRIDGING STATE; EXCITON DISSOCIATION;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; FULLERENES; HETEROJUNCTIONS; SURFACE CHARGE;

CHARGE TRANSFER;

FULLERENE C60; FULLERENE DERIVATIVE; POLYMER; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

CHEMISTRY; ELECTROCHEMISTRY; PHOTOCHEMISTRY; REVIEW;

ELECTROCHEMISTRY; FULLERENES; PHOTOCHEMISTRY; POLYMERS; THIOPHENES;

EID: 34547607045     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl0707095     Document Type: Article

References (39)

1. Huynh, W.; Dittmer, J. J.; Alivisatos, A. P. Science 2002, 295, 2425.
2. Brabec, C. J.; Sariciftci, N. S.; Hummelen, J. C. Adv. Funct. Mater. 2001, 11, 15.
3. Coakley, K. M.; Liu, Y.; Chiatzun, G.; McGehee, M. D. MRS Bull. 2005, 30, 37.
4. Forrest, S. R. MRS Bull. 2005, 30, 28.
5. Gledhill, S. E.; Scott, B.; Gregg, B. A. J. Mater. Res. 2005, 20, 3167.
6. Ma, W.; Yang, C.; Gong, X.; Lee, K.; Heeger, A. J. Adv. Funct. Mater. 2005, 15, 1617.
7. Coakley, K. M.; McGehee, M. D. Chem. Mater. 2004, 16, 4533.
8. Padinger, F.; Rittberger, R. S.; Sariciftci, N. S. Adv. Funct. Mater. 2003, 13, 85.
9. Sariciftci, N. S.; Smilowitz, L.; Heeger, A. J.; Wudl, F. Science 1992, 258, 1474.
10. Kraabel, B.; Hummelen, J. C.; Vacar, D.; Moses, D.; Sariciftci, N. S.; Heeger, A. J.; Wudl, F. J. Chem Phys. 1996, 104, 4268.
11. Brabec. C. J.; Zerza, G.; Cerullo, G.; De Silvestri, S.; Luzzati, S.; Hummelen, J. C.; Sariciftci, N. S. Chem. Phys. Lett. 2001, 340, 232.
12. Kraabel, B.; McBranch, D.; Sariciftci, N. S.; Moses, D.; Heeger, A. J. Phys. Rev. B 1994, 50, 18543.
13. Ai, X.; Beard, C. M.; Knutsen, K. P.; Shaheen, S. E.; Rumbles, G.; Ellingson, R. J. J. Phys. Chem. B 2006, 110, 25462.
14. Liu, Y.-X.; Summers, M. A.; Scully, S. R.; McGehee, M. D. J. Appl. Phys. 2006, 99, 093521.
15. Gratzel, M. Inorg. Chem. 2005, 44, 6841.
16. Durrant, J. R.; Haque, S. A.; Palomares, E. Chem. Commun. 2006, 31, 3279.
17. For a recent review, see, e.g., Duncan, W. R.; Prezhdo, O. V. Annu. Rev. Phys. Chem. 2007, 58, 143.
18. Craig, C. F.; Duncan, W. R.; Prezhdo, O. V. Phys. Rev. Lett. 2005, 95, 163001.
19. Duncan, W. R.; Stier, W. M.; Prezhdo, O. V. J. Am. Chem. Soc. 2005, 127, 7941.
20. Yang, C.; Hu, J. G.; Heeger, A. J. J. Am. Chem. Soc. 2006, 128, 12007.
21. Perdew, J.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
22. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
23. Prosa, T. J.; Winokur, M. J.; Moulton, J.; Smith, P.; Heeger, A. J. Macromolecule 1992, 25, 4364.
24. Hebard, A. F. Annu. Rev. Mater. Sci. 1993, 23, 159.
25. Wang, X.-B.; Ding, C-F.; Wang, L.-S. J. Chem. Phys. 1999, 110, 8217.
26. Andreoni, W. Annu. Rev. Phys. Chem. 1998, 49, 405.
27. Marumoto, K.; Takeuchi, N.; Ozaki, T. Kuroda, S. Synth. Met. 2002, 129, 239.
28. Morita, S.; Zakhidov, A. A.; Yoshino, K. Solid State Commun. 1992, 82, 2084.
29. (a) Jiang, X. M.; Österbacka, R.; Korovyanko, O.; An, C. P.; Horovitz, B.; Janssesn, R. A.; Vardeny, Z. V. Adv. Funct. Mater. 2002, 12, 593.
30. (b) Kraabel, B.; Moses, D.; Heeger, A. J. J. Chem. Phys. 1995, 103, 5102.
31. (c) Rentsch, S.; Yang, J. P.; Paa, W.; Birckner, E.; Schiedt, J. Weinkauf Phys. Chem. Chem. Phys. 1999, 1, 1707.
32. (d) Janssesn, R. A. J.; Smilowitz, L.; Sariciftci, N. S.; Moses, D. J. Chem. Phys. 1994, 101, 1788.
33. z = 1. We determined the singlet excited state energy by using ASCF approach. Ziegler, T. Chem. Rev. 1991, 91, 651.
34. Lin, H.; Weng, Y.; Huang, H.; He, Q.; Zheng, M.; Bai, F. Appl. Phys. Lett. 2004, 84, 2980.
35. Dyakonov, V.; Zoriniants, G.; Scharber, M.; Brabec, C. J.; Janssesn, R. A.; Hummelen, J. C.; Sariciftci, N. S. Phys. Rev. B 1999, 59, 8019.
36. Stinchcombe, J.; Pénicaud, A.; Bhyrappa, P.; Boyd, P. D. W.; Reed, C. A. J. Am. Chem. Soc. 1993, 115, 5212.
37. Ma, W.; Yang, C.; Gong, X.; Lee, K.; Heeger, A. J. Adv. Funct. Mater. 2005, 15, 1617.
38. Koeppe, R.; Sariciftci, N. S. Photochem. Photobiol. Sci. 2006, 5, 1122.
39. Kymakis, E.; Amaratunga, G. A. J. Rev. Adv. Mater. Sci. 2005, 10, 300.