Monte carlo simulation of carrier diffusion in organic thin films with morphological inhomogeneity

Journal of Physical Chemistry C

Volumn 117, Issue 47, 2013, Pages 24663-24672

  Mohan, S Raj ^a   Singh, Manoranjan P ^a   Joshi, M P ^a   Kukreja, L M ^a  

^a RAJA RAMANNA CENTRE FOR ADVANCED TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER DIFFUSIONS; CHARGE TRANSPORT MECHANISMS; DIFFUSION MECHANISMS; DISORDERED REGIONS; INHOMOGENEOUS FILMS; INHOMOGENEOUS SYSTEM; MORPHOLOGICAL INHOMOGENEITY; ORGANIC THIN FILMS;

DIFFUSION; MONTE CARLO METHODS; MORPHOLOGY; THIN FILMS;

CARRIER TRANSPORT;

EID: 84889561123     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4006839     Document Type: Article

References (41)

1. Hadziioannou, G.; van Hutten, P. F. Semiconducting Polymers: Chemistry, Physics and Engineering; Wiley-VCH: Weinheim, Germany, 2000.
2. Brütting, W. Physics of Organic Semiconductors; Wiley-VCH Verlag GmbH &KGaA: Weinheim, Germany, 2005.
3. Baranovski, S. Charge Transport in Disordered Solids with Application in Electronics; John Wiley & Sons: London, 2006.
4. Bässler, H. Charge Transport in Disordered Organic Photoconductors: A Monte Carlo Simulation Study Phys. Status Solidi (B) 1993, 175, 15-56
5. Roichman, Y.; Tessler, N. Generalized Einstein Relation for Disordered Semiconductors-Implications for Device Performance Appl. Phys. Lett. 2002, 80, 1948-1950
6. Pautmeier, L.; Richert, R.; Bässler, H. Anomalous Time-Independent Diffusion of Charge Carriers in a Random Potential Under a Bias Field Philos. Mag. 1991, 63, 587-601
7. Richert, R.; Pautmeier, L.; Bässler, H. Diffusion and Drift of Charge Carriers in a Random Potential: Deviation from Einstein's Law Phys. Rev. Lett. 1989, 63, 547-550
8. Grünewald, M.; Pohlmann, B.; Movaghar, B.; Würtz, D. Theory of Non-Equilibrium Diffusive Transport in Disordered Materials Philos. Mag. B 1984, 49, 341-356
9. Movaghar, B.; Grünewald, M.; Ries, B.; Bässler, H.; Würtz, D. Diffusion and Relaxation of Energy in Disordered Organic and Inorganic Materials Phys. Rev. B 1986, 33, 5545-5554
10. Rudenko, A. I.; Arkhipov, V. I. Drift and Diffusion in Materials with Traps I. Quasi-Equilibrium Transport Regime Philos. Mag. 1982, 45, 177-187
11. Borsenberger, P. M.; Pautmeier, L. T.; Bässler, H. Scaling Behavior of Nondispersive Charge Transport in Disordered Molecular Solids Phys. Rev. B 1993, 48, 3066-3073
12. Tessler, N.; Preezant, Y.; Rappaport, N.; Roicham, Y. Charge Transport in Disordered Organic Materials and its Relevance to Thin-Film Devices: A Tutorial Review Adv. Mater. 2009, 21, 2741-2761
13. Scott, J. C. Metal-Organic Interface and Charge Injection in Organic Electronic Devices J. Vac. Sci. Technol. A 2003, 21, 521-531
14. Deibel, C.; Dyakonov, V. Polymer-Fullerene Bulk Heterojunction Solar Cells Rep. Prog. Phys. 2010, 73, 096401-096439
15. Pivrikas, A.; Sariciftci, N. S.; Jusîka, G.; Österbacka, R. A Review of Charge Transport and Recombination in Polymer/Fullerene Organic Solar Cells Prog. Photovolt.: Res. Appl. 2007, 15, 677-696
16. Nenashev, A. V.; Jansson, F.; Baranovskii, S. D.; Österbacka, R.; Dvurechenskii, A. V.; Gebhard, F. Effect of Electric Field on Diffusion in Disordered Materials. II. Two- and Three- Dimensional Hopping Transport Phys. Rev. B 2010, 81, 115204
17. Nenashev, A. V.; Jansson, F.; Baranovskii, S. D.; Österbacka, R.; Dvurechenskii, A. V.; Gebhard, F. Effect of Electric Field on Diffusion in Disordered Materials. I. One-Dimensional Hopping Transport Phys. Rev. B 2010, 81, 115203
18. Tripathi, A. K.; Tripathi, D. C.; Mohapatra, Y. N. Simultaneous and Direct Measurement of Carrier Diffusion Constant and Mobility in Organic Semiconductors and Deviation from Standard Einstein Relation Phys. Rev. B 2011, 84, 041201(R)
19. Wetzelaer, G. A. H.; Koster, L. J. A.; Blom, P. W. M. Validity of the Einstein Relation in Disordered Organic Semiconductors Phys. Rev. Lett. 2011, 107, 066605
20. Mendels, D.; Tessler, N. Drift and Diffusion in Disordered Organic Semiconductors: The Role of Charge Density and Charge Energy Transport J. Phys. Chem. C 2013, 117, 3287-3293
21. Nikitenko, V. R.; von Seggern, H.; Bässler, H. Non-Equilibrium Transport of Charge Carriers in Disordered Organic Materials J. Phys.: Condens. Matter 2007, 19, 136210
22. Anta, J. A.; Mora-Seró, I.; Dittrich, T.; Bisquert, J. Interpretation of Diffusion Coefficients in Nanostructured Materials from Random Walk Numerical Simulation J. Phys. Chem. Chem. Phys. 2008, 10, 4478-4485
23. Riess, P.; Couderc, E.; Girolama, J. D.; Pron, A. Conjugated Polymers/Semiconductor Nanocrystals Hybrid Materials-Preparation, Electrical Transport Properties and Applications Nanoscale 2011, 3, 446-489
24. Hoppe, H.; Sariciftci, N. S. Polymer Solar Cells Adv. Polym. Sci. 2008, 214, 1-86
25. Sih, B. C.; Wolf, M. O. Metal Nanoparticle-Conjugated Polymer Nanocomposites Chem. Commun. 2005, 27, 3375-3384
26. Liu, F.; Gu, Y.; Jung, J. W.; Jo, W. H.; Russel, T. P. On the Morphology of Polymer-Based Photovoltaics J. Polym. Sci., Part B: Polym. Phys. 2012, 50, 1018-1044
27. Slota, J. E.; He, X.; Huck, W. T. S. Controlling Nanoscale Morphology in Polymer Photovoltaic Devices Nano Today 2010, 5, 231-242
28. Chen, L. M.; Hong, Z.; Li, G.; Yang, Y. Recent Progress in Polymer Solar Cells: Manipulation of Polymer:Fullerene Morphology and the Formation of Efficient Inverted Polymer Solar Cells Adv. Mater. 2009, 21, 1434-1449
29. Salleo, A. Charge Transport in Polymeric Transistors Mater. Today 2007, 10, 38-45
30. Giridharagopal, R.; Ginger, D. S. Characterizing Morphology in Bulk Heterojunction Organic Photovoltaic Systems J. Phys. Chem. Lett. 2010, 1, 1160-1169
31. Raj Mohan, S.; Joshi, M. P.; Singh, M. P. Charge Transport in Disordered Organic Solids: A Monte Carlo Simulation Study on the Effects of Film Morphology Org. Electron. 2008, 9, 355-368
32. Raj Mohan, S.; Joshi, M. P.; Singh, M. P. Negative Electric Field Dependence of Mobility in TPD Doped Polystyrene Chem. Phys. Lett. 2009, 470, 279-284
33. Raj Mohan, S.; Singh, M. P.; Joshi, M. P. On the Use of Empirical Equation in Extracting Disorder Parameters in Inhomogeneous Organic Thin Films J. Phys. Chem. C 2012, 116, 2555-2562
34. Meng, L.; Wang, D.; Li, Q.; Yi, Y.; Brédas, J. L.; Shuai, Z. An Improved Dynamic Monte Carlo Model Coupled with Poisson Equation to Simulate the Performance of Organic Photovoltaic Devices J. Chem. Phys. 2011, 134, 124102
35. Yang, F.; Forrest, S. R. Photocurrent Generation in Nanostructured Organic Solar Cells ACS Nano 2008, 2, 1022-1032
36. Durrant, J. R; Konester, J.; Wiersma, D. A. Local energetic disorder in molecular aggregates probed by the one-exciton to two-exciton transition Chem. Phys. Lett. 1994, 222, 450-456
37. Sakanoue, T.; Sirringhaus, H. Band-Like Temperature Dependence of Mobility in Solution-Processed Organic Semiconductor Nat. Mater. 2010, 9, 736-740
38. Street, R. A.; Northrup, J. E.; Salleo, A. Transport in polycrystalline polymer thin-film transistors Phys. Rev. B 2005, 71, 165202
39. Beljonne, D.; Cornil, J.; Muccioli, L.; Zannoni, C.; Brédas, J. L.; Castet, F. Electronic Processes at Organic-Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices Chem. Mater. 2011, 23, 591-601
40. Watkins, P. K.; Walker, A. B.; Verschoor, G. L. B. Dynamical Monte Carlo Modelling of Organic Solar Cells: The Dependence of Internal Quantum Efficiency on Morphology Nano Lett. 2005, 5, 1814-1818
41. Gagorik, G. A.; Mohin, J. W.; Kowalewski, T.; Hutchison, G. R. Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics J. Chem. Phys. Lett. 2013, 4, 36-42