Tuning the interfacial electronic structure at organic heterojunctions by chemical design

Journal of Physical Chemistry Letters

Volumn 3, Issue 17, 2012, Pages 2374-2378

  Mothy, Sébastien ^a,b   Guillaume, Maxime ^b   Idé, Julien ^a,b   Castet, Frédéric ^a   Ducasse, Laurent ^a   Cornil, Jérôme ^b   Beljonne, David ^b  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b UNIVERSITY OF MONS   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER STATE; CHEMICAL DESIGNS; DRIVING FORCES; ELECTRON WITHDRAWING GROUP; ELECTROSTATIC EFFECT; ENERGY LANDSCAPE; FREE CHARGE; FULLERENE C; INTERFACIAL ELECTRONIC STRUCTURE; OLIGOTHIOPHENES; ORGANIC HETEROJUNCTIONS; ORGANIC SOLAR CELL; PENTACENES; PHOTOCONVERSION; QUADRUPOLAR ELECTRIC FIELDS; QUANTUM-CHEMICAL TECHNIQUES;

CHARGE TRANSFER; ELECTRIC FIELDS; ELECTRONIC STRUCTURE; GRAFTING (CHEMICAL); INTERFACE STATES; POLYCYCLIC AROMATIC HYDROCARBONS; QUANTUM CHEMISTRY;

HETEROJUNCTIONS;

EID: 84865984580     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz300894r     Document Type: Article

References (20)

1. Kim, J. Y.; Lee, K.; Coates, N. E.; Moses, D.; Nguyen, T.-Q.; Dante, M.; Heeger, A. J. Efficient Tandem Polymer Solar Cells Fabricated by All-Solution Processing Science 2007, 317, 222-225
2. Kippelen, B.; Brédas, J. L. Organic Photovoltaics Energy Environ. Sci. 2009, 2, 251-261
3. Brédas, J. L.; Norton, J. E.; Cornil, J.; Coropceanu, V. Molecular Understanding of Organic Solar Cells: The Challenges Acc. Chem. Res. 2009, 42, 1691-1699
4. Veldman, D.; Meskers, S. C. J.; Janssen, R. A. J. The Energy of Charge-Transfer States in Electron Donor-Acceptor Blends: Insight into the Energy Losses in Organic Solar Cells Adv. Funct. Mater. 2009, 19, 1939-1948
5. Clarke, T. M.; Durrant, J. R. Charge Photogeneration in Organic Solar Cells Chem. Rev. 2010, 110, 6736-6767
6. Arkhipov, V. I.; Heremans, P.; Bässler, H. Why Is Exciton Dissociation So Efficient at the Interface Between a Conjugated Polymer and an Electron Acceptor? Appl. Phys. Lett. 2003, 82, 4605-4607
7. Lee, J.; Vandewal, K.; Yost, S. R.; Bahlke, M. E.; Goris, L.; Baldo, M. A.; Manca, J. V.; Van Voorhis, T. Charge Transfer State Versus Hot Exciton Dissociation in Polymer-Fullerene Blended Solar Cells J. Am. Chem. Soc. 2010, 132, 11878-11880
8. Kanai, Y.; Grossman, J. C. Insights on Interfacial Charge Transfer Across P3HT/Fullerene Photovoltaic Heterojunction from Ab Initio Calculations Nano Lett. 2007, 7, 1967-1972
9. Bakulin, A. A.; Rao, A.; Pavelyev, V. G.; van Loosdrecht, P. H. M.; Pshenichnikov, M. S.; Niedzialek, D.; Cornil, J.; Beljonne, D.; Friend, R. H. The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors Science 2012, 335, 1340-1344
10. Cornil, J.; dos Santos, D. A.; Beljonne, D.; Brédas, J. L. Electronic Structure of Phenylene Vinylene Oligomers: Influence of Donor/Acceptor Substitutions J. Phys. Chem. 1995, 99, 5604-5611
11. Fitzner, R.; Reinold, E.; Mishra, A.; Mena-Osteritz, E.; Ziehlke, H.; Körner, C.; Leo, K.; Riede, M.; Weil, M.; Tsaryova, O. Dicyanovinyl- Substituted Oligothiophenes: Structure-Property Relationships and Application in Vacuum-Processed Small Molecule Organic Solar Cells Adv. Funct. Mater. 2011, 21, 897-910
12. 70 J. Am. Chem. Soc. 1993, 115, 9818-9819
13. Gierschner, J.; Cornil, J.; Egelhaaf, H. J. Optical Bandgaps of π-Conjugated Organic Materials at the Polymer Limit: Experiment and Theory Adv. Mater. 2007, 19, 173-191
14. 60 Adv. Mater. 2006, 18, 2872-2875
15. Uhrich, C.; Schueppel, R.; Petrich, A.; Pfeiffer, M.; Leo, K.; Brier, E.; Kilickiran, P.; Baeuerle, P. Organic Thin-Film Photovoltaic Cells Based on Oligothiophenes with Reduced Bandgap Adv. Funct. Mater. 2007, 17, 2991-2999
16. Linares, M.; Beljonne, D.; Cornil, J.; Lancaster, K.; Brédas, J. L.; Verlaak, S.; Mityashin, A.; Heremans, P.; Fuchs, A.; Lennartz, C. On the Interface Dipole at the Pentacene-Fullerene Heterojunction: A Theoretical Study J. Phys. Chem. C 2010, 114, 3215-3224
17. 60 Heterojunctions Adv. Funct. Mater. 2009, 19, 3809-3814
18. Castet, F.; Aurel, P.; Fritsch, A.; Ducasse, L.; Liotard, D.; Linares, M.; Cornil, J.; Beljonne, D. Electronic Polarization Effects on Charge Carriers in Anthracene: A Valence Bond Study Phys. Rev. B 2008, 77, 115210-1-115210-14
19. 60 Heterojunctions Int. J. Quantum Chem. 2012, 10.1002/qua.24006
20. Yost, S. R.; Wang, L.-P.; Van Voorhis, T. Molecular Insight Into the Energy Levels at the Organic Donor/Acceptor Interface: A Quantum Mechanics/Molecular Mechanics Study J. Phys. Chem. C 2011, 115, 14431-14436