Singlet-singlet exciton recombination: Theoretical insight into the influence of high density regime of excitons in conjugated polymers

Journal of Physical Chemistry B

Volumn 118, Issue 19, 2014, Pages 5250-5257

  Ribeiro Junior, Luiz Antonio ^a   Da Cunha, Wiliam Ferreira ^a   E Silva, Geraldo Magela ^a  

^a UNIVERSITY OF BRASILIA   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CONJUGATED POLYMERS; ELECTRON-ELECTRON INTERACTIONS; OPTOELECTRONIC DEVICES; POLARONS;

EXCITON RECOMBINATION; EXTENDED HUBBARD MODEL; EXTERNAL ELECTRIC FIELD; FREE CHARGE CARRIERS; HIGH-DENSITY REGIONS; ORGANIC OPTOELECTRONICS; RECOMBINATION PROCESS; SU SCHRIEFFER HEEGER MODEL;

EXCITONS;

EID: 84900553212     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp4107926     Document Type: Article

References (46)

1. Menke, S. M.; Luhman, W. A.; Holmes, R. J. Tailored Exciton Diffusion in Organic Photovoltaic Cells for Enhanced Power Conversion Efficiency Nat. Mater. 2013, 12, 152-157
2. Jailaubekov, A. E.; Willard, A. P.; Tritsch, J. R.; Chan, W.-L.; Sai, N.; Gearba, R.; Kaake, L. G.; Williams, K. J.; Leung, K.; Rossk, P. J.; Zhu, X.-Y. Hot Charge-Transfer Excitons Set the Time Limit for Charge Separation at Donor/Acceptor interfaces in organic photovoltaics Nat. Mater. 2013, 12, 66-73
3. Grancini, G.; Maiuri, M.; Fazzi, D.; Petrozza, A.; Egelhaaf, H.-J.; Brida, D.; Cerullo, G.; Lanzani, G. Hot Exciton Dissociation in Polymer Solar Cells Nat. Mater. 2013, 12, 29-33
4. Yang, Q.; Liu, Y.; Pan, C.; Chen, J.; Wen, X.; Wang, Z. L. Largely Enhanced Efficiency in ZnO Nanowire/p-Polymer Hybridized Inorganic/Organic Ultraviolet Light-Emitting Diode by Piezo-Phototronic Effect Nano Lett. 2013, 13, 607-613
5. Tang, S.; Pan, J.; Buchholz, H. A.; Edman, L. White Light from a Single-Emitter Light-Emitting Electrochemical Cell J. Am. Chem. Soc. 2013, 13, 3647-3652
6. Zuniga, C. A.; Abdallah, J.; Haske, W.; Zhang, Y.; Coropceanu, I.; Barlow, S.; Kippelen, B.; Marder, S. R. Crosslinking Using Rapid Thermal Processing for the Fabrication of Efficient Solution-Processed Phosphorescent Organic Light-Emitting Diodes Adv. Mater. 2013, 25, 1793-1744
7. Barford, W. Excitons in Conjugated Polymers: A Tale of Two Particles J. Phys. Chem. A 2013, 25, 2665-2671
8. Barford, W. Theory of Singlet Exciton Yield in Light-Emitting Polymers Phys. Rev. B 2004, 70, 205204-205212
9. Brazovskii, S.; Kirova, N. Physical Theory of Excitons in Conducting Polymers Chem. Soc. Rev. 2010, 39, 2453-2465
10. Meng, Y.; Liu, X. J.; Di, B.; An, Z. Recombination of Polaron and Exciton in Conjugated Polymers J. Chem. Phys. 2009, 131, 244502-5
11. Sun, Z.; Liu, D.; Stafström, S.; An, Z. Scattering Process Between Polaron and Exciton in Conjugated Polymers J. Chem. Phys. 2011, 134, 044906-044911
12. Sun, Z.; Li, Y.; Li, D. S.; An, Z.; Xie, S. Scattering Process Between Bipolaron and Exciton in Conjugated Polymers Phys. Rev. B 2009, 134, 201310(R)
13. Di, B.; Meng, Y.; Wang, Y. D.; Liu, X. J.; An, Z. Formation and Evolution Dynamics of Bipolarons in Conjugated Polymers J. Chem. Phys. B 2011, 115, 964-971
14. Di, B.; Meng, Y.; Wang, Y. D.; Liu, X. J.; An, Z. Electroluminescence Enhancement in Polymer Light-Emitting Diodes through Inelastic Scattering of Oppositely Charged Bipolarons J. Chem. Phys. B 2011, 115, 9339-9344
15. Stafström, S. Electron Localization and the Transition from Adiabatic to Nonadiabatic Charge Transport in Organic Conductors Chem. Soc. Rev. 2010, 39, 2484-2499
16. Ribeiro, L. A.; Neto, P. H. O.; da Cunha, W. F.; Roncaratti, L. F.; Gargano, R.; da Silva Filho, D. A.; e Silva, G. M. Exciton Dissociation and Charge Carrier Recombination Processes in Organic Semiconductors J. Chem. Phys. 2011, 135, 224901-224906
17. Neto, P. H. O.; da Cunha, W. F.; Roncaratti, L. F.; Gargano, R.; e Silva, G. M. Thermal Effects on Photogeneration of Free Carriers in Organic Conductors Chem. Phys. Lett. 2010, 493, 283-287
18. Su, W. P.; Schrieffer, J. R.; Heeger, A. J. Solitons in Polyacetylene Phys. Rev. Lett. 1979, 42, 1698-1701
19. Su, W. P.; Schrieffer, J. R.; Heeger, A. J. Solitons Excitations in Polyeacetylene Phys. Rev. B 1980, 22, 2099-2111
20. Pinheiro, C. S.; e Silva, G. M. Use of Polarons and Bipolarons in Logical Switches Based on Conjugated Polymers Phys. Rev. B 2002, 65, 094304-5
21. Yu, Z. G.; Wu, M. W.; Rao, X. S.; Bishop, A. R. Excitons in Two Coupled Conjugated Polymer Chains J. Phys. Condes. Matter 1996, 8, 8847-8857
22. Leng, J. M.; Jeglinski, S.; Wei, X.; Benner, R. E.; Vardeny, Z. V.; Guo, F.; Mazumdar, S. Optical Probes of Excited States in Poly(p-Phenylenevinylene) Phys. Rev. Lett. 1994, 72, 156-159
23. Hsu, J. W. P.; Yan, M.; Jedju, T. M.; Rothberg, L. J.; Hsieh, B. R. Assignment of the Picosecond Photoinduced Absorption in Phenylene Vinylene Polymers Phys. Rev. B 1994, 49, 712(R)
24. Chandross, M.; Mazumdar, S.; Jeglinski, S.; Wei, X.; Vardeny, Z. V.; Kwock, E. W.; Miller, T. M. Excitons in Poly(para-Phenylenevinylene) Phys. Rev. B 1994, 50, 14702(R)
25. Yu, Z. G.; Fu, R. T.; Wu, C. Q.; Sun, X.; Nasu, K. Excitons, Biexcitons, and the Band Gap in Poly(P-Phenylenevinylene) Phys. Rev. B 1995, 52, 4849-4854
26. Guo, F.; Chandross, M.; Mazumdar, S. Stable Biexcitons in Conjugated Polymers Phys. Rev. Lett. 1995, 74, 2086-2089
27. Soos, Z. G.; Ramasesha, S.; Galvao, D. S.; Etemad, S. Excitation and Relaxation Energies of Trans-Stilbene: Confined Singlet, Triplet, and Charged Bipolarons Phys. Rev. B 1993, 47, 1742-1753
28. Ramasesha, S.; Pati, S. K.; Krishnamurthy, H. R.; Shuai, Z.; Brédas, J. L. Symmetrized Density-Matrix Renormalization-Group Method for Excited States of Hubbard Models Phys. Rev. B 1996, 54, 7598-7600
29. Shuai, Z.; Brédas, J. L.; Pati, S. K.; Ramasesha, S. Exciton Binding Energy in the Strong Correlation Limit of Conjugated Chains Phys. Rev. B 1998, 58, 15329-15331
30. Neto, P. H. O.; da Cunha, W. F.; Teixeira, J. F.; Gargano, R.; e Silva, G. M. Electron-Lattice Coupling in Armchair Graphene Nanoribbons J. Phys. Chem. Lett. 2012, 3, 3039-3042
31. Ribeiro, L. A.; da Cunha, W. F.; Neto, P. H. O.; Gargano, R.; e Silva, G. M. Predicting the Equilibrium Structure of Organic Semiconductors With Genetic Algorithms Chem. Phys. Lett. 2013, 555, 168-172
32. Ribeiro, L. A.; da Cunha, W. F.; Neto, P. H. O.; e Silva, G. M. Dynamics of Photogenerated Polaron-Excitons in Organic Semiconductors Phys. Proc. 2012, 28, 112-116
33. Johansson, A.; Stafström, S. Polaron Dynamics in a System of Coupled Conjugated Polymer Chains Phys. Rev. Lett. 2001, 86, 3602-3605
34. Johansson, A.; Stafström, S. Nonadiabatic Simulations of Polaron Dynamics Phys. Rev. B 2004, 69, 235205-7
35. An, Z.; Wu, C. Q.; Sun, X. Dynamics of Photogenerated Polarons in Conjugated Polymers Phys. Rev. Lett. 2004, 93, 216407-4
36. e Silva, G. M.; Terai, A. Dynamics of Solitons in Polyacetylene With Interchain Coupling Phys. Rev. B 1993, 47, 12568-12577
37. e Silva, G. M. Electric-Field Effects on the Competition Between Polarons and Bipolarons in Conjugated Polymers Phys. Rev. B 2000, 61, 10777-10781
38. Lima, M. P.; e Silva, G. M. Dynamical Evolution of Polaron to Bipolaron in Conjugated Polymers Phys. Rev. B 2006, 74, 224303-6
39. Ribeiro, L. A.; da Cunha, W. F.; Neto, P. H. O.; Gargano, R.; e Silva, G. M. Impurity Effects on Polaron-Exciton Formation in Conjugated Polymers J. Chem. Phys. 2013, 139, 174903-114
40. Ribeiro, L. A.; da Cunha, W. F.; Neto, P. H. O.; Gargano, R.; e Silva, G. M. Dynamical Study of Impurity Effects on Bipolaron-Bipolaron and Bipolaron-Polaron Scattering in Conjugated Polymers J. Phys. Chem. B 2013, 117, 11801-11811
41. Ribeiro, L. A.; da Cunha, W. F.; Neto, P. H. O.; Gargano, R.; e Silva, G. M. Impurity Effects and Temperature Influence on the Exciton Dissociation Dynamics in Conjugated Polymers Chem. Phys. Lett. 2013, 580, 108-114
42. Ribeiro, L. A.; da Cunha, W. F.; Neto, P. H. O.; Gargano, R.; e Silva, G. M. Effects of Temperature and Electric Field Induced Phase Transitions on the Dynamics of Polarons and Bipolarons New J. Chem. 2013, 37, 2829-2836
43. Sun, Z.; Stafstöm, S. Dynamics of Exciton Dissociation in Donor-Acceptor Polymer Heterojunctions J. Chem. Phys. 2013, 138, 164905-8
44. Roncaratti, L. F.; Gargano, R.; de Oliveira Neto, P. H.; da Cunha, W. F.; da Silva Filho, D. A.; e Silva, G. M. Temperature-Induced Oscillating Electric Dipole in Conjugated Systems Chem. Phys. Lett. 2012, 593, 214-217
45. Roncaratti, L. F.; Gargano, R.; e Silva, G. M. Theoretical Temperature Dependence of the Charge-Carrier Mobility in Semiconducting Polymers J. Phys. Chem. A 2009, 113, 14591-14594
46. Sun, Z.; Stafström, S. Spin-Dependent Polaron Recombination in Conjugated Polymers J. Chem. Phys. 2012, 136, 244901-5 Nível Superior