Publications

Found 13 results
Filters: Author is Ravva, Mahesh Kumar  [Clear All Filters]
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.
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.
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.
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.