Publications

Found 85 results
2017
X. - K. Chen, Tsuchiya, Y., Ishikawa, Y., Zhong, C., Adachi, C., and Bredas, J. - L., A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures, Advanced Materials, no. 46, p. 1702767, 2017.
M. Kumar Ravva, Risko, C., and Bredas, J. - L., Non-Covalent Interactions in Quantum Chemistry and PhysicsNoncovalent Interactions in Organic Electronic Materials. Elsevier, 2017, pp. 277 - 302.
H. Li, Chavez, A., Li, H., Dichtel, W., and Brédas, J. L., "Nucleation and Growth of Covalent Organic Frameworks from Solution: The Example of COF-5", Journal of the American Chemical Society, vol. 139, pp. 16310-16318, 2017.
G. O. Ngongan Ndjawa, Graham, K. R., Mollinger, S., Wu, D. M., Hanifu, D., Prasanna, R., Rose, B. D., Dey, S., Yu, L., Brédas, J. L., McGehee, M. D., Salleo, A., and Amassian, A., “Open-Circuit Voltage in Organic Solar Cells: The Implants of Donor Semicrystallinity and Coexistence of Multiple Interfacial Charge-Transfer Bands”, Advanced Energy Materials, vol. 7, 2017.
J. - L. Bredas, Organic Electronics: Does a Plot of the HOMO–LUMO Wave Functions Provide Useful Information?, Chemistry of Materials, vol. 29, no. 2, pp. 477 - 478, 2017.
H. Ade, Ye, L., Hu, H., Ghasemi, M., Wang, T., Collins, B., Kim, J. H., Jiang, K., Carpenter, J., Li, H., Li, Z., Mcafee, T., Zhao, J., Chen, X., Lai, J. Y. L., Ma, T., Brédas, J. L., and Mohammed, O., “Quantitative Interaction-Miscibility-Function Relations in Organic Solar Cells”, Nature Materials , 2017.
C. Sutton, Tummala, N. Rajesh, Beljonne, D., and Bredas, J. - L., Singlet Fission in Rubrene Derivatives: Impact of Molecular Packing, Chemistry of Materials, vol. 29, no. 7, pp. 2777 - 2787, 2017.
R. Hilal, Aziz, S. G., Osman, O. I., and Brédas, J. L., “Time Dependent – Density Functional Theory Characterization of Organic Dyes for Dye-sensitized Solar Cells”, Molecular Simulation, vol. 43, pp. 1523-1531, 2017.
C. Zhou, Cui, Q., McDowell, C., Seifrid, M., Chen, X., Brédas, J. L., Wang, M., Huang, F., and Bazan, G. C., “Topological Transformation of π-Conjugated Molecules Reduces Resistance to Crystallization”, Angewandte Chemie, vol. 56, pp. 9318-9321, 2017.
P. K. Samanta, Kim, D., Coropceanu, V., and Bredas, J. - L., Up-Conversion Intersystem Crossing Rates in Organic Emitters for Thermally Activated Delayed Fluorescence: Impact of the Nature of Singlet vs Triplet Excited States, Journal of the American Chemical Society, vol. 139, no. 11, pp. 4042 - 4051, 2017.
X. - K. Chen and Bredas, J. - L., "Voltage Losses in Organic Solar Cells: Understanding the Contributions of Intramolecular Vibrations to Nonradiative Recombinations", Advanced Energy Materials , no. 1702227, 2017.
2016
R. L. Gieseking, Ravva, M. Kumar, Coropceanu, V., and Bredas, J. - L., Benchmarking Density Functional Theory Approaches for the Description of Symmetry Breaking in Long Polymethine Dyes, The Journal of Physical Chemistry C, vol. 120, no. 18, pp. 9975 - 9984, 2016.
S. Sweetnam, Vandewal, K., Cho, E., Risko, C., Coropceanu, V., Salleo, A., Bredas, J. - L., and McGehee, M. D., Characterizing the Polymer:Fullerene Intermolecular Interactions, Chemistry of Materials, vol. 28, no. 5, pp. 1446 - 1452, 2016.
Y. Zhang, Steyrleuthner, R., and Bredas, J. - L., Charge Delocalization in Oligomers of Poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2- b ]thiophene) (PBTTT), The Journal of Physical Chemistry C, vol. 120, no. 18, pp. 9671 - 9677, 2016.
Z. Zheng, Bredas, J. - L., and Coropceanu, V., Description of the Charge Transfer States at the Pentacene/C 60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model, The Journal of Physical Chemistry Letters, vol. 7, no. 13, pp. 2616 - 2621, 2016.
X. - K. Chen, Ravva, M. Kumar, Li, H., Ryno, S. M., and Bredas, J. - L., Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells, Advanced Energy Materials, vol. 6, no. 24, p. 1601325, 2016.
M. Hong, Ravva, M. Kumar, Winget, P., and Bredas, J. - L., Effect of Substituents on the Electronic Structure and Degradation Process in Carbazole Derivatives for Blue OLED Host Materials, Chemistry of Materials, vol. 28, no. 16, pp. 5791 - 5798, 2016.
K. Do, Saleem, Q., Ravva, M. Kumar, Cruciani, F., Kan, Z., Wolf, J., Hansen, M. Ryan, Beaujuge, P. M., and Bredas, J. - L., Impact of Fluorine Substituents on π-Conjugated Polymer Main-Chain Conformations, Packing, and Electronic Couplings, Advanced Materials, vol. 2, no. 37, pp. 8197 - 8205, 2016.
S. M. Ryno, Risko, C., and Bredas, J. - L., Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors, ACS Applied Materials & Interfaces, vol. 8, no. 22, pp. 14053 - 14062, 2016.
H. Sun, Ryno, S., Zhong, C., Ravva, M. Kumar, Sun, Z., örzdörfer, T., and Bredas, J. - L., Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach, Journal of Chemical Theory and Computation, vol. 12, no. 6, pp. 2906 - 2916, 2016.
R. L. Gieseking, Risko, C., Marder, S. R., and Bredas, J. - L., Materials and EnergyThe WSPC Reference on Organic Electronics: Organic Semiconductors Understanding the Relationships Among Molecular Structure, Excited-State Properties, and Polarizabilities of π -Conjugated Chromophores, vol. 1. WORLD SCIENTIFIC, 2016, pp. 393 - 419.
J. - L. Bredas, Marder, S. R., and örzdörfer, T., Materials and EnergyThe WSPC Reference on Organic Electronics: Organic Semiconductors DFT 101 and Applications to π -Conjugated Systems, vol. 1. WORLD SCIENTIFIC, 2016, pp. 19 - 52.
J. - L. Bredas and Marder, S. R., Materials and EnergyThe WSPC Reference on Organic Electronics: Organic Semiconductors An Introduction to the Electronic Structure of π -Conjugated Molecules and Polymers, and to the Concept of Electronic Bands, vol. 1. WORLD SCIENTIFIC, 2016, pp. 1 - 18.
M. Kumar Ravva, Wang, T., and Bredas, J. - L., Nature of the Binding Interactions between Conjugated Polymer Chains and Fullerenes in Bulk Heterojunction Organic Solar Cells, Chemistry of Materials, vol. 28, no. 22, pp. 8181 - 8189, 2016.
S. M. Ryno, Risko, C., and Bredas, J. - L., Noncovalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals, Chemistry of Materials, vol. 28, no. 11, pp. 3990 - 4000, 2016.

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