Publications

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In Press
Z. Tu, Yi, Y., Coropceanu, V., and Bredas, J. - L., "Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study", The Journal of Physical Chemistry Part C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, C: Energy Conversion and Storage; Energy and Charge Transport, In Press.
2017
Y. Li, Li, H., Zhong, C., Sini, G., and Brédas, J. L., “Characterization of Intrinsic Hole Transport in Single-crystal Spiro-OMeTAD”, Nature PG – Flexible Electronics , 2017.
S. Joseph, Ravva, M. K., and Brédas, J. L., “Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene-Fullerene Complex: Implications for Organic Solar Cells", Journal of Physical Chemistry Letters, vol. 8, pp. 5171-5176, 2017.
K. Do, Ravva, M. Kumar, Wang, T., and Bredas, J. - L., Computational Methodologies for Developing Structure–Morphology–Performance Relationships in Organic Solar Cells: A Protocol Review, Chemistry of Materials, vol. 29, no. 1, pp. 346 - 354, 2017.
M. Timpel, Li, H., Petrie, N., Marder, S., Barlow, S., Marcovittorio, N., Brédas, J. L., Wegner, B., Frisch, J., and Koch, N., . "Electrode Work Function Engineering with Phosphonic Acid Monolayers and Molecular Acceptors: Charge Redistribution Mechanisms", Advanced Functional Materials , 2017.
J. Yin, Li, H., Cortecchia, D., Soci, C., and Bredas, J. - L., Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites, ACS Energy Letters, vol. 2, no. 2, pp. 417 - 423, 2017.
M. Nikolka, Nasrallah, I., Rose, B., Ravva, M. K., Broch, K., Harkin, D., Charmet, J., Hurhangee, M., Brown, A., Illig, S., Too, P., Jongman, J., McCulloch, I., Brédas, J. L., and Sirringhaus, H., “High Operational and Environmental Stability of High-Mobility Conjugated Polymer Field-Effect Transistors Achieved through the Use of Molecular Additives”, Nature Materials, vol. 16, pp. 356-362, 2017.
R. Steyrleuthner, Zhang, Y., Zhang, L., Kraffert, F., Cherniawski, B. P., Bittl, R., Briseno, A. L., Bredas, J. - L., and Behrends, J., Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer, Physical Chemistry Chemical Physics, vol. 19, pp. 3627 - 3639, 2017.
V. Coropceanu, Brédas, J. L., and Mehraeen, S., "Impact of the Active Layer Morphology on Bimolecular Recombination Dynamics in Organic Solar Cells", Journal of Physical Chemistry C, vol. 121, pp. 24954-24961, 2017.
J. Yin, Zhang, Y., Bruno, A., Soci, C., Bakr, O., Brédas, J. L., and Mohammed, O., "Intrinsic Lead Ion Emissions in Zero-Dimensional Cs4PbBr6 Nanocrystals", ACS Energy Letters , vol. 2, pp. 2805-2811, 2017.
L. Shengjian, Firdaus, Y., Thomas, S., Kan, Z., Cruciani, F., Lopatin, S., Brédas, J. L., and Beaujuge, P. M., "Isoindigo-3,4-Difluorothiophene Polymer Acceptors Yield "All-Polymer" BHJ Solar Cells with >7% Efficiency", Angewandte Chemie, 2017.
J. Yin, Maity, P., Bastiani, M. D., Bakr, O. M., Brédas, J. L., and Mohammed, O. F., “Molecular Behavior of Zero-Dimensional Perovskites”, Science Advances , vol. 3, no. el701793, 2017.
S. M. Ryno, Ravva, M. Kumar, Chen, X., Li, H., and Bredas, J. - L., Molecular Understanding of Fullerene - Electron Donor Interactions in Organic Solar Cells, Advanced Energy Materials, vol. 7, no. 10, p. 1601370, 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.

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