Simulations of singlet exciton diffusion in organic semiconductors: a review

Bjorgaard, Josiah A.; Kose, Muhammet Erkan

doi:10.1039/C4RA12409J

Title: Simulations of singlet exciton diffusion in organic semiconductors: a review

Journal Article · Mon Dec 22 00:00:00 EST 2014 · RSC Advances

DOI:https://doi.org/10.1039/C4RA12409J· OSTI ID:1254833

Bjorgaard, Josiah A. ^[1]; Kose, Muhammet Erkan ^[2]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
TUBITAK Gebze Yerleskesi Marmara Research Center (Turkey)

Our review describes the various aspects of simulation strategies for exciton diffusion in condensed phase thin films of organic semiconductors. Several methods for calculating energy transfer rate constants are discussed along with procedures for how to account for energetic disorder. Exciton diffusion can be modelled by using kinetic Monte-Carlo methods or master equations. Recent literature on simulation efforts for estimating exciton diffusion lengths of various conjugated polymers and small molecules are introduced. Moreover, these studies are discussed in the context of the effects of morphology on exciton diffusion and the necessity of accurate treatment of disorder for comparison of simulation results with those of experiment.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1254833

Report Number(s):: LA-UR-14-27941; RSCACL

Journal Information:: RSC Advances, Vol. 5, Issue 11; ISSN 2046-2069

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 43 works

Citation information provided by
Web of Science

References (101)

Diffusion of Singlet Excitons in Tetracene Crystals Vaubel, G.; Baessler, H. Molecular Crystals and Liquid Crystals, Vol. 12, Issue 1 https://doi.org/10.1080/15421407008082759	journal	December 1970
Computational Study of the Structure, Dynamics, and Photophysical Properties of Conjugated Polymers and Oligomers under Nanoscale Confinement Sumpter, Bobby G.; Kumar, Pradeep; Mehta, Adosh The Journal of Physical Chemistry B, Vol. 109, Issue 16 https://doi.org/10.1021/jp0446534	journal	April 2005
Modelling exciton diffusion in disordered conjugated polymers Athanasopoulos, S.; Emelianova, E. V.; Walker, A. B. SPIE Photonics Europe, SPIE Proceedings https://doi.org/10.1117/12.854434	conference	May 2010
Designing light-harvesting antenna systems based on superradiant molecular aggregates Scholes, Gregory D. Chemical Physics, Vol. 275, Issue 1-3 https://doi.org/10.1016/S0301-0104(01)00533-X	journal	January 2002
Modeling Electron and Hole Transport in Fluoroarene-Oligothiopene Semiconductors: Investigation of Geometric and Electronic Structure Properties Koh, S. E.; Risko, C.; da Silva Filho, D. A. Advanced Functional Materials, Vol. 18, Issue 2 https://doi.org/10.1002/adfm.200700713	journal	January 2008
Unmasking Bulk Exciton Traps and Interchain Electronic Interactions with Single Conjugated Polymer Aggregates Traub, Matthew C.; Vogelsang, Jan; Plunkett, Kyle N. ACS Nano, Vol. 6, Issue 1 https://doi.org/10.1021/nn203860u	journal	December 2011
Exciton diffusion length in narrow bandgap polymers Mikhnenko, Oleksandr V.; Azimi, Hamed; Scharber, Markus Energy & Environmental Science, Vol. 5, Issue 5 https://doi.org/10.1039/c2ee03466b	journal	January 2012
Calculation of Couplings and Energy-Transfer Pathways between the Pigments of LH2 by the ab Initio Transition Density Cube Method Krueger, Brent P.; Scholes, Gregory D.; Fleming, Graham R. The Journal of Physical Chemistry B, Vol. 102, Issue 27 https://doi.org/10.1021/jp9811171	journal	July 1998
Energy Transfer Mechanisms and the Molecular Exciton Model for Molecular Aggregates Kasha, Michael Radiation Research, Vol. 20, Issue 1 https://doi.org/10.2307/3571331	journal	September 1963
Unravelling the effect of strand orientation on exciton migration in conjugated polymers Correia, H. M. G.; Barbosa, H. M. C.; Marques, L. Computational Materials Science, Vol. 75 https://doi.org/10.1016/j.commatsci.2013.03.032	journal	July 2013
Ultrafast excitation transfer and trapping in a thin polymer film Grage, Mette M. -L.; Zaushitsyn, Yuri; Yartsev, Arkady Physical Review B, Vol. 67, Issue 20 https://doi.org/10.1103/PhysRevB.67.205207	journal	May 2003
Absorption in regio-regular poly(3-hexyl)thiophene thin films: Fermi resonances, interband coupling and disorder Spano, Frank C. Chemical Physics, Vol. 325, Issue 1 https://doi.org/10.1016/j.chemphys.2005.08.019	journal	June 2006
One-dimensional exciton diffusion in a conjugated polymer Rughooputh, S. D. D. V.; Bloor, D.; Phillips, D. Physical Review B, Vol. 35, Issue 15 https://doi.org/10.1103/PhysRevB.35.8103	journal	May 1987
Femtosecond torsional relaxation Clark, J.; Nelson, T.; Tretiak, S. Nature Physics, Vol. 8, Issue 3 https://doi.org/10.1038/nphys2210	journal	February 2012
Structure and morphology control in thin films of regioregular poly(3-hexylthiophene) Brinkmann, Martin Journal of Polymer Science Part B: Polymer Physics, Vol. 49, Issue 17 https://doi.org/10.1002/polb.22310	journal	July 2011
The effect of deep traps on carrier hopping in disordered organic materials Arkhipov, V. I.; Reynaert, J.; Jin, Y. D. Synthetic Metals, Vol. 138, Issue 1-2 https://doi.org/10.1016/S0379-6779(02)01267-5	journal	June 2003
Calculations of the exciton coupling elements between the DNA bases using the transition density cube method Czader, Arkadiusz; Bittner, Eric R. The Journal of Chemical Physics, Vol. 128, Issue 3 https://doi.org/10.1063/1.2821384	journal	January 2008
Nonthermally activated exciton transport in crystalline organic semiconductor thin films Topczak, Anna K.; Roller, Tobias; Engels, Bernd Physical Review B, Vol. 89, Issue 20 https://doi.org/10.1103/PhysRevB.89.201203	journal	May 2014
Molecular Weight Dependence of Exciton Diffusion in Poly(3-hexylthiophene) Masri, Zarifi; Ruseckas, Arvydas; Emelianova, Evguenia V. Advanced Energy Materials, Vol. 3, Issue 11 https://doi.org/10.1002/aenm.201300210	journal	August 2013
Singlet Exciton Diffusion in Organic Crystals Based on Marcus Transfer Rates Stehr, Vera; Fink, Reinhold F.; Engels, Bernd Journal of Chemical Theory and Computation, Vol. 10, Issue 3 https://doi.org/10.1021/ct500014h	journal	February 2014
Exciton localization in polymers with static disorder Barford, William; Trembath, David Physical Review B, Vol. 80, Issue 16 https://doi.org/10.1103/PhysRevB.80.165418	journal	October 2009
H- and J-Aggregate Behavior in Polymeric Semiconductors Spano, Frank C.; Silva, Carlos Annual Review of Physical Chemistry, Vol. 65, Issue 1 https://doi.org/10.1146/annurev-physchem-040513-103639	journal	April 2014
One-Dimensional Singlet Exciton Diffusion in Poly(3-hexylthiophene) Crystalline Domains Tamai, Yasunari; Matsuura, Yuu; Ohkita, Hideo The Journal of Physical Chemistry Letters, Vol. 5, Issue 2 https://doi.org/10.1021/jz402299a	journal	January 2014
Electronic Energy Transfer and Quantum-Coherence in π-Conjugated Polymers ^† Hwang, Inchan; Scholes, Gregory D. Chemistry of Materials, Vol. 23, Issue 3 https://doi.org/10.1021/cm102360x	journal	February 2011
Exciton diffusion in organic photovoltaic cells Menke, S. Matthew; Holmes, Russell J. Energy Environ. Sci., Vol. 7, Issue 2 https://doi.org/10.1039/C3EE42444H	journal	January 2014
What Determines Inhomogeneous Broadening of Electronic Transitions in Conjugated Polymers? Hoffmann, Sebastian T.; Bässler, Heinz; Köhler, Anna The Journal of Physical Chemistry B, Vol. 114, Issue 51 https://doi.org/10.1021/jp107357y	journal	December 2010
10th Spiers Memorial Lecture. Transfer mechanisms of electronic excitation Főrster, Th. Discuss. Faraday Soc., Vol. 27, Issue 0 https://doi.org/10.1039/DF9592700007	journal	January 1959
Conformational disorder of conjugated polymers Westenhoff, Sebastian; Beenken, Wichard J. D.; Yartsev, Arkady The Journal of Chemical Physics, Vol. 125, Issue 15 https://doi.org/10.1063/1.2358682	journal	October 2006
Understanding molecular structure dependence of exciton diffusion in conjugated small molecules Li, Zi; Zhang, Xu; Woellner, Cristiano F. Applied Physics Letters, Vol. 104, Issue 14 https://doi.org/10.1063/1.4871303	journal	April 2014
Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: The treatment of electrostatic interactions Casalegno, Mosè; Raos, Guido; Po, Riccardo The Journal of Chemical Physics, Vol. 132, Issue 9 https://doi.org/10.1063/1.3337909	journal	March 2010
Excitons in Conjugated Oligomer Aggregates, Films, and Crystals Spano, Frank C. Annual Review of Physical Chemistry, Vol. 57, Issue 1 https://doi.org/10.1146/annurev.physchem.57.032905.104557	journal	May 2006
Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature Collini, E.; Scholes, G. D. Science, Vol. 323, Issue 5912 https://doi.org/10.1126/science.1164016	journal	January 2009
Accurate Measurement of the Exciton Diffusion Length in a Conjugated Polymer Using a Heterostructure with a Side-Chain Cross-Linked Fullerene Layer Markov, Denis E.; Amsterdam, Emiel; Blom, Paul W. M. The Journal of Physical Chemistry A, Vol. 109, Issue 24 https://doi.org/10.1021/jp0509663	journal	June 2005
Anisotropy of singlet exciton diffusion in organic semiconductor crystals from ab initio approaches Stehr, V.; Engels, B.; Deibel, C. The Journal of Chemical Physics, Vol. 140, Issue 2 https://doi.org/10.1063/1.4858464	journal	January 2014
Quantum and Nanoscale Modelling of Exciton Dynamics in Polymeric Systems Barbosa, H. M. C.; Correia, H. M. G.; Ramos, M. M. D. Journal of Nanoscience and Nanotechnology, Vol. 10, Issue 2 https://doi.org/10.1166/jnn.2010.1828	journal	February 2010
Excitonic coupling in polythiophenes: Comparison of different calculation methods Beenken, Wichard J. D.; Pullerits, Tõnu The Journal of Chemical Physics, Vol. 120, Issue 5 https://doi.org/10.1063/1.1636460	journal	February 2004
Conformational disorder and energy migration in MEH-PPV with partially broken conjugation Grage, M. M. -L.; Wood, P. W.; Ruseckas, A. The Journal of Chemical Physics, Vol. 118, Issue 16 https://doi.org/10.1063/1.1562190	journal	January 2003
Decoherence of Excitons in Multichromophore Systems: Thermal Line Broadening and Destruction of Superradiant Emission Heijs, D. J.; Malyshev, V. A.; Knoester, J. Physical Review Letters, Vol. 95, Issue 17 https://doi.org/10.1103/PhysRevLett.95.177402	journal	October 2005
Photoluminescence efficiency and absorption of aluminum-tris-quinolate (Alq3) thin films Garbuzov, D. Z.; Bulović, V.; Burrows, P. E. Chemical Physics Letters, Vol. 249, Issue 5-6 https://doi.org/10.1016/0009-2614(95)01424-1	journal	February 1996
Two-dimensional spatial coherence of excitons in semicrystalline polymeric semiconductors: Effect of molecular weight Paquin, Francis; Yamagata, Hajime; Hestand, Nicholas J. Physical Review B, Vol. 88, Issue 15 https://doi.org/10.1103/PhysRevB.88.155202	journal	October 2013
Theory of exciton transfer and diffusion in conjugated polymers Barford, William; Tozer, Oliver Robert The Journal of Chemical Physics, Vol. 141, Issue 16 https://doi.org/10.1063/1.4897986	journal	October 2014
Interchain vs. intrachain energy transfer in acceptor-capped conjugated polymers Beljonne, D.; Pourtois, G.; Silva, C. Proceedings of the National Academy of Sciences, Vol. 99, Issue 17 https://doi.org/10.1073/pnas.172390999	journal	August 2002
Discrete hopping model of exciton transport in disordered media Burlakov, V. M.; Kawata, K.; Assender, H. E. Physical Review B, Vol. 72, Issue 7 https://doi.org/10.1103/PhysRevB.72.075206	journal	August 2005
Dependence of Exciton Diffusion Length on Crystalline Order in Conjugated Polymers Sim, Myungsun; Shin, Jisoo; Shim, Chiyeoung The Journal of Physical Chemistry C, Vol. 118, Issue 2 https://doi.org/10.1021/jp409776s	journal	December 2013
Excitons in nanoscale systems Scholes, Gregory D.; Rumbles, Garry Nature Materials, Vol. 5, Issue 9 https://doi.org/10.1038/nmat1710	journal	September 2006
Molecular Weight Dependence of Chain Packing and Semicrystalline Structure in Oriented Films of Regioregular Poly(3-hexylthiophene) Revealed by High-Resolution Transmission Electron Microscopy Brinkmann, Martin; Rannou, Patrice Macromolecules, Vol. 42, Issue 4 https://doi.org/10.1021/ma8023415	journal	February 2009
An activated scheme for resonance energy transfer in conjugated materials Köse, Muhammet E. The Journal of Chemical Physics, Vol. 135, Issue 24 https://doi.org/10.1063/1.3673962	journal	December 2011
The Mechanism of Long-Range Exciton Diffusion in a Nematically Organized Porphyrin Layer Huijser, Annemarie; Savenije, Tom J.; Meskers, Stefan C. J. Journal of the American Chemical Society, Vol. 130, Issue 37 https://doi.org/10.1021/ja803753y	journal	September 2008
Excitons in Conjugated Polymers: A Tale of Two Particles Barford, William The Journal of Physical Chemistry A, Vol. 117, Issue 13 https://doi.org/10.1021/jp310110r	journal	February 2013
Determining exciton coherence from the photoluminescence spectral line shape in poly(3-hexylthiophene) thin films Spano, Frank C.; Clark, Jenny; Silva, Carlos The Journal of Chemical Physics, Vol. 130, Issue 7 https://doi.org/10.1063/1.3076079	journal	February 2009
Evaluation of Excitonic Coupling and Charge Transport Integrals in P3HT Nanocrystal Köse, Muhammet E. The Journal of Physical Chemistry C, Vol. 115, Issue 26 https://doi.org/10.1021/jp203497e	journal	June 2011
Exciton migration in a polythiophene: Probing the spatial and energy domain by line-dipole Förster-type energy transfer Westenhoff, Sebastian; Daniel, Clément; Friend, Richard H. The Journal of Chemical Physics, Vol. 122, Issue 9 https://doi.org/10.1063/1.1855292	journal	March 2005
Compensating Poly(3-hexylthiophene) Reveals Its Doping Density and Its Strong Exciton Quenching by Free Carriers Liang, Ziqi; Gregg, Brian A. Advanced Materials, Vol. 24, Issue 24 https://doi.org/10.1002/adma.201201157	journal	May 2012
L ONG -R ANGE R ESONANCE E NERGY T RANSFER IN M OLECULAR S YSTEMS Scholes, Gregory D. Annual Review of Physical Chemistry, Vol. 54, Issue 1 https://doi.org/10.1146/annurev.physchem.54.011002.103746	journal	October 2003
Determining the Exciton Diffusion Length in a Polyfluorene from Ultrafast Fluorescence Measurements of Polymer/Fullerene Blend Films Bruno, A.; Reynolds, L. X.; Dyer-Smith, C. The Journal of Physical Chemistry C, Vol. 117, Issue 39 https://doi.org/10.1021/jp404985q	journal	September 2013
Exciton localization in disordered poly(3-hexylthiophene) Barford, William; Lidzey, David G.; Makhov, Dmitry V. The Journal of Chemical Physics, Vol. 133, Issue 4 https://doi.org/10.1063/1.3459099	journal	July 2010
Exciton Dynamics in Disordered Poly( p -phenylenevinylene). 1. Ultrafast Interconversion and Dynamical Localization Tozer, Oliver Robert; Barford, William The Journal of Physical Chemistry A, Vol. 116, Issue 42 https://doi.org/10.1021/jp307040d	journal	October 2012
Effects of optical interference and energy transfer on exciton diffusion length measurements in organic semiconductors Scully, Shawn R.; McGehee, Michael D. Journal of Applied Physics, Vol. 100, Issue 3 https://doi.org/10.1063/1.2226687	journal	August 2006
Efficient solution of Poisson’s equation with free boundary conditions Genovese, Luigi; Deutsch, Thierry; Neelov, Alexey The Journal of Chemical Physics, Vol. 125, Issue 7 https://doi.org/10.1063/1.2335442	journal	August 2006
Singlet Annihilation in Films of Regioregular Poly(3-hexylthiophene): Estimates for Singlet Diffusion Lengths and the Correlation between Singlet Annihilation Rates and Spectral Relaxation Cook, Steffan; Liyuan, Han; Furube, Akihiro The Journal of Physical Chemistry C, Vol. 114, Issue 24 https://doi.org/10.1021/jp101340b	journal	May 2010
Amplified quenching of conjugated polymer nanoparticle photoluminescence for robust measurement of exciton diffusion length Bjorgaard, Josiah A.; Köse, Muhammet E. Journal of Applied Physics, Vol. 113, Issue 20 https://doi.org/10.1063/1.4807415	journal	May 2013
Rate expressions for excitation transfer. III. An ab initio study of electronic factors in excitation transfer and exciton resonance interactions Scholes, Gregory D.; Harcourt, Richard D.; Ghiggino, Kenneth P. The Journal of Chemical Physics, Vol. 102, Issue 24 https://doi.org/10.1063/1.468773	journal	June 1995
Zwischenmolekulare Energiewanderung und Fluoreszenz Förster, Th. Annalen der Physik, Vol. 437, Issue 1-2, p. 55-75 https://doi.org/10.1002/andp.19484370105	journal	January 1948
Simulations of Exciton Diffusion and Trapping in Semicrystalline Morphologies of Poly(3-hexylthiophene) Bjorgaard, Josiah A.; Köse, Muhammet E. The Journal of Physical Chemistry C, Vol. 118, Issue 11 https://doi.org/10.1021/jp501513a	journal	March 2014
Exciton diffusion in energetically disordered organic materials Athanasopoulos, Stavros; Emelianova, Evguenia V.; Walker, Alison B. Physical Review B, Vol. 80, Issue 19 https://doi.org/10.1103/PhysRevB.80.195209	journal	November 2009
On the theory of hopping conductivity in disordered systems Movaghar, B.; Schirmacher, W. Journal of Physics C: Solid State Physics, Vol. 14, Issue 6 https://doi.org/10.1088/0022-3719/14/6/012	journal	February 1981
Exciton Diffusion Measurements in Poly(3-hexylthiophene) Shaw, Paul E.; Ruseckas, Arvydas; Samuel, Ifor D. W. Advanced Materials, Vol. 20, Issue 18, p. 3516-3520 https://doi.org/10.1002/adma.200800982	journal	July 2008
Does supramolecular ordering influence exciton transport in conjugated systems? Insight from atomistic simulations Papadopoulos, Theodoros A.; Muccioli, Luca; Athanasopoulos, Stavros Chemical Science, Vol. 2, Issue 6 https://doi.org/10.1039/c0sc00467g	journal	January 2011
Contactless Determination of the Photoconductivity Action Spectrum, Exciton Diffusion Length, and Charge Separation Efficiency in Polythiophene-Sensitized TiO ₂ Bilayers Kroeze, Jessica E.; Savenije, Tom J.; Vermeulen, Martien J. W. The Journal of Physical Chemistry B, Vol. 107, Issue 31 https://doi.org/10.1021/jp0217738	journal	August 2003
Electronic Interactions and Interchromophore Excitation Transfer Scholes, Gregory D.; Ghiggino, Kenneth P. The Journal of Physical Chemistry, Vol. 98, Issue 17 https://doi.org/10.1021/j100068a017	journal	April 1994
Exciton Migration in Conjugated Dendrimers: A Joint Experimental and Theoretical Study KÃ¶se, Muhammet E.; Graf, Peter; Kopidakis, Nikos ChemPhysChem, Vol. 10, Issue 18 https://doi.org/10.1002/cphc.200900386	journal	December 2009
Modeling disorder in polymer aggregates: The optical spectroscopy of regioregular poly(3-hexylthiophene) thin films Spano, Frank C. The Journal of Chemical Physics, Vol. 122, Issue 23 https://doi.org/10.1063/1.1914768	journal	June 2005
Theoretical Study of Torsional Disorder in Poly(3-alkylthiophene) Single Chains: Intramolecular Charge-Transfer Character and Implications for Photovoltaic Properties Bjorgaard, Josiah A.; Köse, Muhammet E. The Journal of Physical Chemistry A, Vol. 117, Issue 18 https://doi.org/10.1021/jp401521j	journal	April 2013
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules Dreuw, Andreas; Head-Gordon, Martin Chemical Reviews, Vol. 105, Issue 11 https://doi.org/10.1021/cr0505627	journal	November 2005
Disorder-enhanced triplet exciton diffusion in condensed aromatic systems Pautmeier, L.; Ries, B.; Richert, R. Chemical Physics Letters, Vol. 143, Issue 5 https://doi.org/10.1016/0009-2614(88)87395-0	journal	January 1988
Efficient thin-film organic solar cells based on pentacene/C60 heterojunctions Yoo, S.; Domercq, B.; Kippelen, B. Applied Physics Letters, Vol. 85, Issue 22 https://doi.org/10.1063/1.1829777	journal	November 2004
Measuring the exciton diffusion length of C₆₀ in organic planar heterojunction solar cells Qin, Dashan; Gu, Peng; Dhar, Rudra Sankar physica status solidi (a), Vol. 208, Issue 8, p. 1967-1971 https://doi.org/10.1002/pssa.201026724	journal	March 2011
Relationship between Crystalline Order and Exciton Diffusion Length in Molecular Organic Semiconductors Lunt, Richard R.; Benziger, Jay B.; Forrest, Stephen R. Advanced Materials, Vol. 22, Issue 11 https://doi.org/10.1002/adma.200902827	journal	March 2010
Exciton diffusion and dissociation in conjugated polymer/fullerene blends and heterostructures Haugeneder, A.; Neges, M.; Kallinger, C. Physical Review B, Vol. 59, Issue 23 https://doi.org/10.1103/PhysRevB.59.15346	journal	June 1999
CHEMISTRY: Excitons Surf Along Conjugated Polymer Chains Bredas, J. -L.; Silbey, R. Science, Vol. 323, Issue 5912 https://doi.org/10.1126/science.1168821	journal	January 2009
Charge Transport in Organic Semiconductors Coropceanu, Veaceslav; Cornil, Jérôme; da Silva Filho, Demetrio A. Chemical Reviews, Vol. 107, Issue 4 https://doi.org/10.1021/cr050140x	journal	April 2007
Modeling of Exciton Diffusion in Amorphous Organic Thin Films Madigan, Conor; Bulović, Vladimir Physical Review Letters, Vol. 96, Issue 4 https://doi.org/10.1103/PhysRevLett.96.046404	journal	January 2006
Electronic Energy Transfer in Highly Aligned MEH-PPV Single Chains Traub, Matthew C.; Lakhwani, Girish; Bolinger, Joshua C. The Journal of Physical Chemistry B, Vol. 115, Issue 33 https://doi.org/10.1021/jp204591p	journal	August 2011
Efficient, Ordered Bulk Heterojunction Nanocrystalline Solar Cells by Annealing of Ultrathin Squaraine Thin Films Wei, Guodan; Lunt, Richard R.; Sun, Kai Nano Letters, Vol. 10, Issue 9, p. 3555-3559 https://doi.org/10.1021/nl1018194	journal	September 2010
Theoretical Studies on Conjugated Phenyl-Cored Thiophene Dendrimers for Photovoltaic Applications Köse, Muhammet E.; Mitchell, William J.; Kopidakis, Nikos Journal of the American Chemical Society, Vol. 129, Issue 46 https://doi.org/10.1021/ja073455y	journal	November 2007
Connecting Molecular Structure and Exciton Diffusion Length in Rubrene Derivatives Mullenbach, Tyler K.; McGarry, Kathryn A.; Luhman, Wade A. Advanced Materials, Vol. 25, Issue 27 https://doi.org/10.1002/adma.201300641	journal	June 2013
Time-dependent non-equilibrium exciton diffusion in an organic glass Richert, R.; Ries, B.; Bässler, H. Philosophical Magazine B, Vol. 49, Issue 3 https://doi.org/10.1080/13642817408246506	journal	March 1984
Singlet exciton diffusion in MEH-PPV films studied by exciton–exciton annihilation Lewis, A. J.; Ruseckas, A.; Gaudin, O. P. M. Organic Electronics, Vol. 7, Issue 6 https://doi.org/10.1016/j.orgel.2006.05.009	journal	December 2006
Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture Brédas, Jean-Luc; Beljonne, David; Coropceanu, Veaceslav Chemical Reviews, Vol. 104, Issue 11 https://doi.org/10.1021/cr040084k	journal	November 2004
Ultralong-Range Polaron-Induced Quenching of Excitons in Isolated Conjugated Polymers Bolinger, J. C.; Traub, M. C.; Adachi, T. Science, Vol. 331, Issue 6017 https://doi.org/10.1126/science.1199140	journal	February 2011
Diffusion and relaxation of energy in disordered organic and inorganic materials Movaghar, B.; Grünewald, M.; Ries, B. Physical Review B, Vol. 33, Issue 8 https://doi.org/10.1103/PhysRevB.33.5545	journal	April 1986
Trap-Limited Exciton Diffusion in Organic Semiconductors Mikhnenko, Oleksandr V.; Kuik, Martijn; Lin, Jason Advanced Materials, Vol. 26, Issue 12 https://doi.org/10.1002/adma.201304162	journal	December 2013
Exciton Migration in Rigid-Rod Conjugated Polymers: An Improved Förster Model Hennebicq, Emmanuelle; Pourtois, Geoffrey; Scholes, Gregory D. Journal of the American Chemical Society, Vol. 127, Issue 13 https://doi.org/10.1021/ja0488784	journal	April 2005
Site Torsional Motion and Dispersive Excitation Hopping Transfer in π-Conjugated Polymers ^† Brunner, K.; Tortschanoff, A.; Warmuth, Ch. The Journal of Physical Chemistry B, Vol. 104, Issue 16 https://doi.org/10.1021/jp993068d	journal	April 2000
Direct determination of exciton couplings from subsystem time-dependent density-functional theory within the Tamm–Dancoff approximation König, Carolin; Schlüter, Nicolas; Neugebauer, Johannes The Journal of Chemical Physics, Vol. 138, Issue 3 https://doi.org/10.1063/1.4774117	journal	January 2013
Exciton Dynamics in Disordered Poly( p -phenylenevinylene). 2. Exciton Diffusion Barford, William; Bittner, Eric R.; Ward, Alec The Journal of Physical Chemistry A, Vol. 116, Issue 42 https://doi.org/10.1021/jp307041n	journal	October 2012
Anisotropy of Triplet Exciton Diffusion in Anthracene Ern, V. Physical Review Letters, Vol. 22, Issue 8 https://doi.org/10.1103/PhysRevLett.22.343	journal	February 1969
Rate expressions for excitation transfer. II. Electronic considerations of direct and through–configuration exciton resonance interactions Harcourt, Richard D.; Scholes, Gregory D.; Ghiggino, Kenneth P. The Journal of Chemical Physics, Vol. 101, Issue 12 https://doi.org/10.1063/1.467869	journal	December 1994
Couplings between electronic transitions in a subsystem formulation of time-dependent density functional theory Neugebauer, Johannes The Journal of Chemical Physics, Vol. 126, Issue 13 https://doi.org/10.1063/1.2713754	journal	April 2007
Trap Limited Exciton Transport in Conjugated Polymers Athanasopoulos, Stavros; Hennebicq, Emmanuelle; Beljonne, David The Journal of Physical Chemistry C, Vol. 112, Issue 30 https://doi.org/10.1021/jp802704z	journal	July 2008
Excitons in conjugated polymers: Do we need a paradigma change? Beenken, Wichard J. D. physica status solidi (a) https://doi.org/10.1002/pssa.200925297	journal	August 2009

Cited By (11)

Small is Powerful: Recent Progress in Solution-Processed Small Molecule Solar Cells Collins, Samuel D.; Ran, Niva A.; Heiber, Michael C. Advanced Energy Materials, Vol. 7, Issue 10 https://doi.org/10.1002/aenm.201602242	journal	January 2017
Charge carrier mobilities in organic semiconductor crystals based on the spectral overlap Stehr, Vera; Fink, Reinhold F.; Deibel, Carsten Journal of Computational Chemistry, Vol. 37, Issue 23 https://doi.org/10.1002/jcc.24441	journal	July 2016
Exciton Diffusion in Organic Nanofibers: A Monte Carlo Study on the Effects of Temperature and Dimensionality de Sousa, Leonardo Evaristo; da Silva Filho, Demétrio Antônio; de Sousa, Rafael Timóteo Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-32232-5	journal	September 2018
Dynamical exciton decay in organic materials: the role of bimolecular recombination de Sousa, Leonardo Evaristo; Bueno, Fernando Teixeira; da Silva Filho, Demétrio Antônio Physical Chemistry Chemical Physics, Vol. 21, Issue 4 https://doi.org/10.1039/c8cp05951a	journal	January 2019
Fast predictions of exciton diffusion length in organic materials de Sousa, Leonardo Evaristo; Bueno, Fernando Teixeira; e. Silva, Geraldo Magela Journal of Materials Chemistry C, Vol. 7, Issue 14 https://doi.org/10.1039/c9tc00153k	journal	January 2019
Exciton diffusion in bifluorene single crystals studied by light induced transient grating technique Baronas, Paulius; Ščajev, Patrik; Čerkasovas, Vladislavas Applied Physics Letters, Vol. 112, Issue 3 https://doi.org/10.1063/1.5008376	journal	January 2018
Biexciton cascade emission in multilayered organic nanofibers Evaristo de Sousa, Leonardo; Ferreira da Cunha, Wiliam; Antônio da Silva Filho, Demétrio Applied Physics Letters, Vol. 112, Issue 14 https://doi.org/10.1063/1.5023185	journal	April 2018
Modeling temperature dependent singlet exciton dynamics in multilayered organic nanofibers de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob The Journal of Chemical Physics, Vol. 148, Issue 20 https://doi.org/10.1063/1.5024388	journal	May 2018
Modeling the effects of molecular disorder on the properties of Frenkel excitons in organic molecular semiconductors Shi, Liang; Willard, Adam P. The Journal of Chemical Physics, Vol. 149, Issue 9 https://doi.org/10.1063/1.5044553	journal	September 2018
Investigation of Excitonic Gates in Organic Semiconductor Thin Films Rai, Deepesh; Holmes, Russell J. Physical Review Applied, Vol. 11, Issue 1 https://doi.org/10.1103/physrevapplied.11.014048	journal	January 2019
Synthesis, Characterization, and Crystal Structures of Imides Condensed with p-Phenylamino(Phenyl) Amine and Fluorescence Property Zhang, Jing; Ma, Huaibo Materials, Vol. 12, Issue 11 https://doi.org/10.3390/ma12111873	journal	June 2019

Similar Records

Theory of exciton transfer and diffusion in conjugated polymers

Journal Article · Tue Oct 28 00:00:00 EDT 2014 · Journal of Chemical Physics · OSTI ID:1254833

Barford, William; Tozer, Oliver Robert

Modeling the effects of molecular disorder on the properties of Frenkel excitons in organic molecular semiconductors

Journal Article · Fri Sep 07 00:00:00 EDT 2018 · Journal of Chemical Physics · OSTI ID:1254833

Shi, Liang; Willard, Adam P.

Effects of Ferromagnetic Nanowires on Singlet and Triplet Exciton Fractions in Fluorescent and Phosphorescent Organic Semiconductors

Journal Article · Sun Jan 01 00:00:00 EST 2006 · Applied Physics Letters · OSTI ID:1254833

Hu, Bin; Wu, Yue; Zhang, Zongtao; +2 more

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION
25 ENERGY STORAGE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
77 NANOSCIENCE AND NANOTECHNOLOGY
14 SOLAR ENERGY

Title: Simulations of singlet exciton diffusion in organic semiconductors: a review

Citation Formats

References (101)

Cited By (11)

Similar Records

Related Subjects