Erratum: Inapplicability of electron-hopping models for the organic semiconductor phenyl-c61-butyric acid methyl ester (PCBM) (The Journal of Physical Chemistry Letters (2013) 4 (1012-1017) DOI: 10.1021/jz400227c);On the inapplicability of electron-hopping models for the organic semiconductor phenyl-C61-butyric acid methyl ester (PCBM)

Journal of Physical Chemistry Letters

Volumn 4, Issue 6, 2013, Pages 1012-1017

  Gajdos, Fruzsina ^a   Oberhofer, Harald ^b   Dupuis, Michel ^c   Blumberger, Jochen ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

density functional theory; electron transfer; organic semiconductors; PCBM

Indexed keywords

ACTIVATION ENERGY; BUTYRIC ACID; CHARGE TRANSFER; DISPERSIONS; ELECTRON TRANSPORT PROPERTIES; ESTERS; PHOTOELECTROCHEMICAL CELLS; PHOTOVOLTAIC CELLS; SEMICONDUCTING ORGANIC COMPOUNDS;

BODY-CENTERED CUBIC; DISPERSION CORRECTION; ELECTRON TRANSFER; ELECTRON-ION DYNAMICS; ELECTRONIC COUPLING MATRIX ELEMENTS; ORGANIC PHOTOVOLTAIC CELLS; PCBM; REORGANIZATION ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 84875505957     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz5014455     Document Type: Erratum

References (37)

1. Kippelen, B.; Bredas, J.-L. Organic Photovoltaics Energy Environ. Sci. 2009, 2, 251
2. Beiley, Z. M.; McGehee, M. D. Modeling Low Cost Hybrid Tandem Photovoltaics with the Potential for Efficiencies Exceeding 20% Energy Environ. Sci. 2012, 5, 9173
3. Yue, D.; Khatav, P.; You, F.; Darling, S. B. Deciphering the Uncertainties in Life Cycle Energy and Environmental Analysis of Organic Photovoltaics Energy Environ. Sci. 2012, 5, 9163
4. Ruiz, C.; Garcia-Frutos, E. M.; Hennrich, G.; Gomez-Lor, B. Organic Semiconductors toward Electronic Devices: High Mobility and Easy Processability J. Phys. Chem. Lett. 2012, 3, 1428
5. Rivnay, R.; Mannsfeld, S. C. B.; Miller, C. E.; Salleo, A.; Toney, M. F. Quantitative Determination of Organic Semiconductor Microstructure from the Molecular to Device Scale Chem. Rev. 2012, 112, 5488
6. Brabec, C. J.; Heeney, M.; McCulloch, I.; Nelson, J. Influence of Blend Microstructure on Bulk Heterojunction Organic Photovoltaic Performance Chem. Soc. Rev. 2011, 40, 1185
7. Grozema, F. C.; Siebbeles, L. D. A. Mechanism of Charge Transport in Self-Organizing Organic Materials Int. Rev. Phys. Chem. 2008, 27, 87
8. Troisi, A. Charge Transport in High Mobility Molecular Semiconductors: Classical Models and New Theories Chem. Soc. Rev. 2011, 40, 2347
9. Coropceanu, V.; Cornil, J.; da Silva, D. A.; Olivier, Y.; Silbey, R.; Bredas, J.-L. Charge Transport in Organic Semiconductors Chem. Rev. 2007, 107, 926
10. Nelson, J.; Kwiatkowski, J. J.; Kirkpatrick, J.; Frost, J. M. Modeling Charge Transport in Organic Photovoltaic Materials Acc. Chem. Res. 2008, 42, 1768
11. Gershenson, M. E.; Podzorov, V.; Morpurgo, A. F. Colloquium: Electronic Transport in Single-Crystal Organic Transistors Rev. Mod. Phys. 2006, 78, 973
12. Alexandrov, A.; Devreese, J. Advances in Polaron Physics; Spinger: Heidelberg, Germany, 2010.
13. Fishchuk, I. I.; Kadashchuk, A. K.; Genoe, J.; Ullah, M.; Sitter, H.; Singh, T. B.; Sariciftci, N. S.; Bässler, H. Temperature Dependence of the Charge Carrier Mobility in Disordered Organic Semiconductors at Large Carrier Concentrations Phys. Rev. B 2010, 81, 045202
14. Pivrikas, A.; Ullah, A.; Simbrunner, C.; Sitter, H.; Neugebauer, H.; Sariciftci, N. S. Comparative Study of Bulk and Interface Transport in Disordered Fullerene Films Phys. Status Solidi B 2011, 248, 2656
15. Frankevich, E.; Maruyama, Y.; Ogata, H. Mobility of Charge Carriers in Vapor-Phase Grown C60 Single Crystal Chem. Phys. Lett. 1993, 214, 39
16. Schon, J. H.; Kloc, C.; Batlogg, B. Band-Like Charge Transport in C60 Single Crystals Phys. Status Solidi B 2001, 225, 209
17. Jurchescu, O. D.; Baas, J.; Palstra, T. T. M. Effect of Impurities on the Mobility of Single Crystal Pentacene Appl. Phys. Lett. 2004, 84, 3061
18. Ostroverkhova, O.; Cooke, D. G.; Hegmann, F. A.; Anthony, J. E.; Podzorov, V.; Gershenson, M. E.; Jurchescu, O. D.; Palstra, T. T. M. Ultrafast Carrier Dynamics in Pentacene, Functionalized Pentacene, Tetracene, and Rubrene Single Crystals Appl. Phys. Lett. 2006, 88, 162101
19. Troisi, A.; Orlandi, G. Charge-Transport Regime of Crystalline Organic Semiconductors: Diffusion Limited by Thermal Off-Diagonal Electronic Disorder Phys. Rev. Lett. 2006, 96, 086601
20. Troisi, A. Prediction of the Absolute Charge Mobility of Molecular Semiconductors: the Case of Rubrene Adv. Mater. 2007, 19, 2000
21. Troisi, A. Dynamic Disorder in Molecular Semiconductors: Charge Transport in Two Dimensions J. Chem. Phys. 2011, 134, 034702
22. Fratini, S.; Ciuchi, S. Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors Phys. Rev. Lett. 2009, 103, 266601
23. Oberhofer, H.; Blumberger, J. Revisiting Electronic Couplings and Incoherent Hopping Models for Electron Transport in Crystalline C60 at Ambient Temperatures Phys. Chem. Chem. Phys. 2012, 14, 13846
24. Palstra, T. T. M.; Haddon, R. C.; Hebard, A. F.; Zaanen, J. Electronic Transport Properties of K3C60 Films Phys. Rev. Lett. 1992, 68, 1054
25. Heiney, P. A. Structure, Dynamics and Ordering Transition of Solid C60 J. Phys. Chem. Solids 1992, 53, 1333
26. Rispens, M. T.; Meetsma, A.; Rittberger, R.; Brabec, C. J.; Sariciftci, N. S.; Hummelen, J. C. Influence of the Solvent on the Crystal Structure of PCBM and the Efficiency of MDMO-PPV:PCBM Plastic Solar Cells Chem. Commun. 2003, 2116
27. Dabirian, R.; Feng, X.; Ortolani, L.; Liscio, A.; Morandi, V.; Mullen, K.; Samori, P.; Palermo, V. Micron-sized [6,6]-phenyl C61 Butyric Acid Methyl Ester Crystals Grown by Dip Coating in Solvent Vapour Atmosphere: Interfaces for Organic Photovoltaics Phys. Chem. Chem. Phys. 2010, 12, 4473
28. Zheng, L.; Han, Y. Solvated Crystals Based on [6,6]-Phenyl-C61-butyric Acid Methyl Ester (PCBM) with the Hexagonal Structure and Their Phase Transformation J. Phys. Chem. B 2012, 116, 1598
29. Lin, I. C.; von Lilienfeld, O. A.; Couthinho-Neto, M. D.; Tavernelli, I.; Rothlisberger, U. Predicting Noncovalent Interactions between Aromatic Biomolecules with London-Dispersion-Corrected DFT J. Phys. Chem. B 2007, 111, 14346
30. Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787
31. Kim, Y.; Nelson, J.; Zhang, T.; Cook, S.; Durrant, J. R.; Kim, H.; Park, J.; Shin, M.; Nam, S.; Heeney, M.; McCulloch, I.; Ha, C.-S.; Bradley, D. D. C. Distorted Asymmetric Cubic Nanostructure of Soluble Fullerene Crystals in Efficient Polymer:Fullerene Solar Cells ACS Nano 2009, 3, 2557
32. Napoles-Duarte, J. M.; Reyes-Reyes, M.; Ricardo-Chavez, J. L.; Garibay-Alonso, R.; Lopez-Sandoval, R. Effect of Packing on the Cohesive and Electronic Properties of Methanofullerene Crystals Phys. Rev. B 2008, 78, 035425
33. Oberhofer, H.; Blumberger, J. Electronic Coupling Matrix Elements from Charge Constrained Density Functional Theory Calculations Using a Plane Wave Basis Set J. Chem. Phys. 2010, 133, 244105
34. MacKenzie, R. C. I.; Frost, J. M.; Nelson, J. A Numerical Study of Mobility in Thin Films of Fullerene Derivatives J. Chem. Phys. 2010, 132, 064904
35. Cheung, D. L.; Troisi, A. Theoretical Study of the Organic Photovoltaic Electron Acceptor PCBM: Morphology, Electronic Structure, and Charge Localization J. Phys. Chem. C 2010, 114, 20479
36. Kwiatkowski, J. J.; Frost, J. M.; Nelson, J. The Effect of Morphology on Electron Field-Effect Mobility in Disordered C60 Thin Films Nano Lett. 2009, 9, 1085
37. Newton, M. D.; Sutin, N. Electron Transfer Reactions in Condensed Phases Annu. Rev. Phys. Chem. 1984, 35, 437