Ryno, Sean M.; Lee, Stephen R.; Sears, John S.; Risko, Chad; Brédas, Jean-Luc. "Electronic Polarization Effects upon Charge Injection in Oligoacene Molecular Crystals: Description via a Polarizable Force Field." Journal of Physical Chemistry C, 2013, 117, 13853-13860. DOI: 10.1021/jp402991z[PDF]
Ryno, Sean M.; Risko, Chad; Brédas, Jean-Luc. "Impact of Molecular Packing on Electronic Polarization in Organic Crystals: The Case of Pentacene vs TIPS-Pentacene." Journal of American Chemical Society, 2014, 136, 6421-6427. DOI: 10.1021/ja501725s[PDF]
Ryno, Sean M.; Risko, Chad; Brédas, Jean-Luc. "Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors." ACS Applied Materials and Interfaces, 2016, 8, 14053-14062. DOI: 10.1021/acsami.6b02579[PDF]
Haitao, Sun; Ryno, Sean M.; Zhong, Cheng; Ravva, Mahesh; Sun, Zhen-Rong; Körzförfer, Thomas; Brédas, Jean-Luc. "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, 2016, 12, 2906-2916. DOI: 10.1021/acs.jctc.6b00225[PDF]
Ryno, Sean M.; Risko, Chad; Brédas, Jean-Luc. "Non-Covalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals." Chemistry of Materials, 2016, 28, 3990-4000. DOI: 10.1021/acs.chemmater.6b01340[PDF]
Ryno, Sean M.; Fu, Yao-Tsung; Risko, Chad; Brédas, Jean-Luc. "Polarization Energies at Organic-Organic Interfaces: Impact on the Charge Separation Barrier at Donor-Acceptor Interfaces in Organic Solar Cells." ACS Applied Materials and Interfaces, 2016, 8, 15524-15534. DOI: 10.1021/acsami.6b02851[PDF]
Chen, Xian-Kai; Mahesh, Ravva; Li, Hong; Ryno, Sean M.; Brédas, Jean-Luc. "Effect of Molecular Packing and Charge Delocalization on Non-Radiative Recombination of Charge Transfer States in Organic Solar Cells." Advanced Energy Materials, 2016, 6, 1601325. DOI: 10.1002/aenm.201601325[PDF]
Ryno, Sean M.; Ravva, Mahesh Kumar; Chen, XianKai; Li, Haoyuan; Risko, Chad; Brédas, Jean-Luc. "Molecular Understanding of Fullerene-Electron Donor Interactions in Organic Solar Cells." Advanced Energy Materials, 2017, 7, 1601370. DOI: 10.1002/aenm.201601370[PDF]
McDowell, Caitlin; Narayanaswamy, Kamatham; Yadagiri, Bommaramoni; Gayathri, Thumuganti; Seifrid, Martin; Datt, Ram; Ryno, Sean M.; Heifner, Michael C.; Gupta, Vinay; Risko, Chad; Singh, Surya Prakash; Bazan, Guillermo C. "Impact of Rotamer Diversity on the Self-Assembly of Nearly Isostructural Molecular Semiconductors." Journal of Materials Chemistry A, 2018, 6, 386-394. DOI: 10.1039/C7TA09972J[PDF]
Li, Shi; Ryno, Sean M.; Risko, Chad. "Exploring Thermal Transitions in Anthradithiophene-Based Organic Semiconductors to Reveal Structure-Packing Relationships." Journal of Materials Chemistry C, 2018, 6, 10924-10934. DOI: 10.1039/C8TC03976C[PDF]
Abtahi, Ashkan; Mazza, Samuel M.; Ryno, Sean M.; Loya, E. Kirkbride; Li, Ruipeng; Parkin, Sean R.; Risko, Chad; Anthony, John E.; Graham, Kenneth R. "Effect of Halogenation on the Energetics of Pure and Mixed Phases in Model Organic Semiconductors Composed of Anthradithiophene Derivatives and C60." The Journal of Physical Chemistry C, 2018, 122, 4757-4767. DOI: 10.1021/acs.jpcc.7b11729[PDF]
Purdum, Geoffrey; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty II, Anthony; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin. "Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs." Journal of the American Chemical Society, 2018, 140, 7519-7525. DOI: 10.1021/jacs.8b01421[PDF]
Chen, H.-Y.; Schweicher, G.; Planells, M.; Ryno, Sean M.; Broch, K.; White, A. J. P.; Simatos, D.; Little, M.; Jellett, C.; Cryer, S. J.; Marks, A.; Hurhangee, M.; Brédas, J.-L.; Sirringhaus, H.; McCulloch, I. "Crystal Engineering of Dibenzothiophenothieno[3,2-b]thiophene (DBTTT) Isomers for Organic Field-Effect Transistors." Chemistry of Materials, 2018, 30, 7587-7592. DOI: 10.1021/acs.chemmater.8b02757
Ryno, Sean M.; Risko, Chad. "Deconstructing the Behavior of Donor-Acceptor Copolymers in Solution & the Melt: The Case of PTB7." Physical Chemistry Chemical Physics, 2019, 21, 7802-7813. DOI: 10.1039/C9CP00777F
Kaafarani, B. R.; El-Assaad, T. H.; Smith, W. A.; Ryno, Sean M.; Hermerschmidt, F.; Lyons, J.; Patra, D.; Wex, B.; List-Kratochvil, E.; Risko, C.; Barlow, S.; Marder, S. R. "Bis(Tercarbazole) Pyrene and Tetrahyrdopyrene Derivatives: Photophysical and Electrochemical Properties, Theoretical Modeling, and OLEDs." Journal of Materials Chemistry C, 2019, 7, 5009-5018. DOI: 10.1039/C8TC06266H
Brédas, Jean-Luc; Chen, Xian-Kai; Korzdorfer, Thomas; Li, Hong; Risko, Chad; Ryno, Sean M.; Wang, Tonghui. "Recent Advances in the Computational Characterization of pi-Conjugated Organic Semiconductors." Handbook of Conducting Polymers, 4th Edition., 2019, Eds. T.A. Skotheim, B.C. Thompson, and J.R. Reynolds, CRC Press. LINK
Chaudhry, Saadia; Ryno, Sean M.; Zeller, Matthias; McMillin, David R.; Risko, Chad; Mei, Jianguo. "Oxidation Pathways Involving a Sulfide-Endcapped Donor-Acceptor pi-Conjugated Molecule and Antimony (V) Chloride." The Journal of Physical Chemistry B, 2019, 123, 3866-3874. DOI: 10.1021/acs.jpcb.9b01389
Purdum, Geoffrey E.; Chen, Xiangyu; Telesz, Nicholas; Ryno, Sean M.; Sengar, Nikita; Gessner, Thomas; Risko, Chad; Clancy, Paulette; Weitz, Thomas R.; Loo, Yueh-Lin. "Solvent-Molecule Interactions Govern Crystal-Habit Selection in Naphthalene Tetracarboxylic Diimides." Chemistry of Materials, 2019, 31, 9691-9698. DOI: 10.1021/acs.chemmater.9b03142
Li, Shi; Pokuri, Balaji Sesha Sarath; Ryno, Sean M.; Nkansah, Asare; De'Vine, Camron; Ganapathysubramanian, Baskar; Risko, Chad. "Determination of the Free Energies of Mixing of Organic Solutions Through a Combined Molecular Dynamics and Bayesian Statistics Approach." Journal of Chemical Information and Modeling, 2020, 60, 1424-1431. DOI: 10.1021/acs.jcim.9b01113
Ai, Qianxiang; Bhat, Vinayak; Ryno, Sean M.; Jarolimek, Karol; Sornberger, Parker; Smith, Andrew; Haley, Michael M; Anthony, John E.; Risko, Chad. "OCELOT: An Infrastructure for Data-Driven Research to Discover and Design Crystalline Organic Semiconductors." The Journal of Chemical Physics, 2021, 154, 174705. DOI: 10.1063/5.0048714
Chamikara, Karunasena; Li, Shi; Heifner, Michael C.; Ryno, Sean M.; Risko, Chad. "Reconsidering the Roles of Noncovalent Intramolecular Locks in π-Conjugated Molecules." Chemistry of Materials, 2021, 33, 9139-9151. DOI: 10.1021/acs.chemmater.1c02335
Callaway, Connor P.; Bombile, Joel H.; Mask, Walker; Ryno, Sean M.; Risko, Chad. "Thermomechanical Enhancement of DPP-4T Through Purposful π-Conjugation Disruption." Journal of Polymer Science, 2021, 60, 559-568. DOI: 10.1021/acs.jpcb.9b01389
Ryno, Sean M.; Noruzi, Ramin; Karunasena, Chamikara; Pokuri, Balaji Sesha Sarath; Li, Shi; Ganapathysubramanian, Baskar; Risko, Chad. "Following the Crystal Growth of Anthradithiophenes Through Atomistic Molecular Dynamics Simulations and Graph Characterization." Molecular Systems Design & Engineering, 2022, 7, 112-122. DOI: 10.1039/D1ME00157D
Pokuri, Balaji Sesha Sarath; Ryno, Sean M.; Noruzi, Ramin; Risko, Chad; Ganapathysubramanian, Baskar. "Computationally Characterizing Charge Transport Resiliency in Molecular Solids." Molecular Systems Design & Engineering, 2022, Accepted Manuscript. DOI: 10.1039/D1ME00163A