Ultrafast coherent electron-hole separation dynamics in a fullerene derivative

Journal of Physical Chemistry Letters

Volumn 2, Issue 10, 2011, Pages 1189-1192

  Chapman, Craig T ^a   Liang, Wenkel ^a   Li, Xiaosong ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BULK HETEROJUNCTION; CHARGE-TRANSFER DYNAMICS; CHARGE-TRANSFER EXCITED STATE; DIRECT COUPLING; ELECTRON DONORS; ELECTRON-HOLE RECOMBINATION; ELECTRON-HOLE SEPARATION; FULLERENE DERIVATIVE; HYBRID SOLAR CELLS; PHOTOENERGY CONVERSION; PHOTOEXCITED ELECTRON-HOLE PAIRS; RATIONAL DESIGN; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; ULTRA-FAST; ULTRA-FAST DYNAMICS;

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DERIVATIVES; DYNAMICS; ENERGY CONVERSION; EXCITED STATES; FULLERENES; HETEROJUNCTIONS; PHOTOEXCITATION; SOLAR CELLS; SOLAR ENERGY;

ELECTRONS;

EID: 79957618615     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz200339y     Document Type: Article

References (18)

1. Koeppe, R.; Sariciftci, N. S. Photoinduced Charge and Energy Transfer Involving Fullerene Derivatives Photochem. Photobiol. Sci. 2006, 5, 1122-1131 (Pubitemid 44853765)
2. Deibel, C.; Dyakonov, V. Polymer-Fullerene Bulk Heterojunction Solar Cells Rep. Prog. Phys. 2010, 73, 096401
3. Cates, N. C.; Gysel, R.; Beiley, Z.; Miller, C. E.; Toney, M. F.; Heeney, M.; McCulloch, I.; McGehee, M. D. Tuning the Properties of Polymer Bulk Heterojunction Solar Cells by Adjusting Fullerene Size to Control Intercalation Nano Lett. 2009, 9, 4153-4157
4. Liang, Y.; Xu, Z.; Xia, J.; Tsai, S.-T.; Wu, Y.; Li, G.; Ray, C.; Yu, L. For the Bright Future-Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4% Adv. Mater. 2010, 22, E135-E138
5. 60 (Acceptor)-Aniline (Donor) System. Photophysical Properties of the First Active Fullerene Diad J. Am. Chem. Soc. 1995, 117, 4093-4099
6. 60 across Extended 3- and 11-Bond Hydrocarbon Bridges: Creation of a Long-Lived Charge-Separated State J. Org. Chem. 1996, 61, 5055-5062 (Pubitemid 126540556)
7. Spallanzani, S.; Rozzi, C. A.; Varsano, D.; Baruah, T.; Pederson, M. R.; Manghi, F.; Rubio, A. Photoexcitation of a Light-Harvesting Supramolecular Triad: A Time-Dependent DFT Study J. Phys. Chem. B 2009, 113, 5345-5349
8. 60 Molecular Triad J. Chem. Phys. 2006, 125, 164706-164711
9. 60 Molecular Triad J. Chem. Theor. Comput. 2009, 5, 834-843
10. + near an Aluminum Cluster Surface Phys. Rev. A 2009, 80, 024503
11. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A. Gaussian Development Version; Gaussian, Inc.: Wallingford, CT, 2010.
12. +: Pulse Length and Sequential Multiple Single-Photon Processes J. Phys. Chem. A 2010, 114, 6201-6206
13. 2+: Ehrenfest Dynamics Using Time-Dependent Density Functional Theory J. Phys. Chem. A 2009, 113, 3463-3469
14. Isborn, C. M.; Li, X. Singlet-Triplet Transitions in Real-Time Time-Dependent Hartree-Fock/Density Functional Theory J. Chem. Theor. Comput. 2009, 5, 2415-2419
15. Casida, M. E. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific: Singapore, 1995; Vol. 1
16. Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. An Efficient Implementation of Time-Dependent Density-Functional Theory for the Calculation of Excitation Energies of Large Molecules J. Chem. Phys. 1998, 109, 8218-8225
17. Hirata, S.; Head-Gordon, M. Time-Dependent Density Functional Theory within the Tamm-Dancoff Approximation Chem. Phys. Lett. 1999, 314, 291-299 (Pubitemid 129556772)
18. Dreuw, A.; Head-Gordon, M. Single-Reference Ab Initio Methods for the Calculation of Excited States of Large Molecules Chem. Rev. 2005, 105, 4009-4037 (Pubitemid 41741652)