OSCAR Project

The performance of materials in a wide array of device types – from light-emitting materials for displays, semiconducting compounds for transistors, light-absorbing materials for solar cells – is directly related to the way the atoms or molecules are arranged in the solid-state. A major hurdle to the discovery of new materials, is the complete lack of metrics to correlate the structure of a molecule with its likely solid-state order.

Organic Semiconductors by Computationally Accelerated Refinement (OSCAR) project aims to accelerate the development of new electronic and energy materials by developing computational models to predict solid-state order for a common class of high-performance materials.

Funding

OSCAR is funded through the generous support of the National Science Foundation (NSF) Designing Materials to Revolutionize and Engineer our Future (DMREF) program.

University of Kentucky: DMR 1627428
Princeton University: DMR 1627453
Wake Forest University: DMR 1627925

Publications

  1. Goldthwaite, W. T.; Lambertson, E.; Gragg, M.; Windemuller, D.; Anthony, J. E.; Zuehlsdorff, T. J.; Ostroverkhova, O. Morphology- and Crystal Packing-Dependent Singlet Fission and Photodegradation in Functionalized Tetracene Crystals and Films. The Journal of Chemical Physics 2024, 161 (19).
  2. Bhat, V.; Ganapathysubramanian, B.; Risko, C. Rapid Estimation of the Intermolecular Electronic Couplings and Charge-Carrier Mobilities of Crystalline Molecular Organic Semiconductors through a Machine Learning Pipeline. The Journal of Physical Chemistry Letters 2024, 15 (28), 7206–7213.
  3. Kim, J.; Bain, D. C.; Ding, V.; Majumder, K.; Windemuller, D.; Feng, J.; Wu, J.; Patil, S.; Anthony, J.; Kim, W.; Musser, A. J. Coherent Photoexcitation of Entangled Triplet Pair States. Nature Chemistry 2024, 16 (10), 1680–1686.
  4. Maleki, F.; Thorley, K. J.; Iqbal, H. F.; Vong, D.; Maitra, T.; Petty, A.; Daemen, L. L.; Parkin, S. R.; Jurchescu, O. D.; Anthony, J. E.; Moulé, A. J. Design Rules to Optimize the Intermolecular and Long-Range Packing of Organic Semiconductor Crystals. Chemistry of Materials 2024, 36 (9), 4794–4805.
  5. Gray, V.; Toolan, D. T. W.; Dowland, S.; Allardice, J. R.; Weir, M. P.; Zhang, Z.; Xiao, J.; Klimash, A.; Winkel, J. F.; Holland, E. K.; Fregoso, G. M.; Anthony, J. E.; Bronstein, H.; Friend, R.; Ryan, A. J.; Jones, R. A. L.; Greenham, N. C.; Rao, A. Ligand-Directed Self-Assembly of Organic-Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion. Journal of the American Chemical Society 2024, 146 (11), 7763–7770.
  6. Dremann, D.; Kumar, E. J.; Thorley, K. J.; Gutiérrez-Fernández, E.; Ververs, J. D.; Bourland, J. D.; Anthony, J. E.; Kandada, A. R. S.; Jurchescu, O. D. Understanding Radiation-Generated Electronic Traps in Radiation Dosimeters Based on Organic Field-Effect Transistors. Materials Horizons 2024, 11 , 134–140.
  7. Liu, T.; Zhao, X.; Wang, P.; Burlingame, Q. C.; Hu, J.; Roh, K.; Xu, Z.; Rand, B. P.; Chen, M.; Loo, Y. Highly Transparent, Scalable, and Stable Perovskite Solar Cells with Minimal Aesthetic Compromise. Advanced Energy Materials 2022, 13 (33).
  8. Sullivan, R. P.; Morningstar, J. T.; Castellanos-Trejo, E.; Welker, M. E.; Jurchescu, O. D. The Stark Effect: A Tool for the Design of High-Performance Molecular Rectifiers. Nano Letters 2023, 23 (23), 10864–10870.
  9. Ivancevic, M. R.; Ball, M. L.; Bhat, V.; Wisch, J. A.; Parkin, S. R.; Risko, C.; Rand, B. P.; Loo, Y.-L. Impact of Molecular Geometry and Functionalization on Solution Complexation of Coronene-Based Buckybowls and Fullerenes. Chemistry of Materials 2023, 35 (14), 5524–5531.
  10. Tyznik, C.; Waldrip, M.; Sullivan, R. P.; Mirhosseini, M.; Berry, A.; Dwyer, S.; Cakir, H. Y.; Coffey, T.; Loo, Y.-L.; Jurchescu, O. D. A Study on Contact Resistance as a Function of Surface Treatment in Perovskite Field-Effect Transistors. ACS Applied Electronic Materials 2023, 5 (10), 5343–5351.
  11. Fratelli, I.; Basiricò, L.; Ciavatti, A.; Lamport, Z. A.; Anthony, J. E.; Kymissis, I.; Fraboni, B. Trap States Ruling Photoconductive Gain in Tissue‐Equivalent, Printed Organic X‐Ray Detectors. Advanced Materials Technologies 2022, 8 (3).
  12. Burlingame, Q. C.; Liu, X.; Ball, M. L.; Rand, B. P.; Loo, Y.-L. Voltage-Dependent Excitation Dynamics in UV-Absorbing Organic Photovoltaics with Efficient Charge Transfer Exciton Emission. Energy & Environmental Science 2023, 16 (4), 1742–1751.
  13. Liu, T.; Burlingame, Q. C.; Ivancevic, M. R.; Liu, X.; Hu, J.; Rand, B. P.; Loo, Y. Photochemical Decomposition of Y‐Series Non‐Fullerene Acceptors Is Responsible for Degradation of High‐Efficiency Organic Solar Cells. Advanced Energy Materials 2023, 13 (17).
  14. Park, S. K.; Sun, H.; Bernhardt, M.; Hwang, K.; Anthony, J. E.; Zhao, K.; Diao, Y. Unraveling Molecular Design Principle of Ferroelasticity in Organic Semiconductor Crystals with Two-Dimensional Brickwork Packing. Chemistry of Materials 2022, 35 , 81–93.
  15. Jeong, S.; Barbosa, N.; Tiwari, A.; Holland, E. K.; Huang, L.; Bhat, V.; Yang, Y.; Zhang, Y.; Whittaker, St. J.; Kim, M.; Alaei, A.; Sundaram, P.; Spencer, R.; Brazard, J.; Kalyon, D. M.; Risko, C.; Anthony, J. E.; Adachi, T. B. M.; Shtukenberg, A. G.; Kahr, B.; Lee, S. S. Twisted Crystalline Organic Semiconductor Photodetectors. Advanced Functional Materials 2023, 33 (19).
  16. Bhat, V.; Callaway, C. P.; Risko, C. Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials. Chemical Reviews 2023, 123 (12), 7498–7547.
  17. Zhang, S.; Talnack, F.; Jousselin-Oba, T.; Bhat, V.; Wu, Y.; Lei, Y.; Tomo, Y.; Gong, H.; Michalek, L.; Zhong, D.; Wu, C.; Yassar, A.; Mannsfeld, S.; Risko, C.; Frigoli, M.; Bao, Z. Shear-Aligned Large-Area Organic Semiconductor Crystals through Extended π–π Interaction. Journal of Materials Chemistry C 2023, 11 (26), 8992–9001.
  18. Dull, J. T.; He, X.; Viereck, J.; Ai, Q.; Ramprasad, R.; Otani, M. C.; Sorli, J.; Brandt, J. W.; Carrow, B. P.; Tinoco, A. D.; Loo, Y.; Risko, C.; Rangan, S.; Kahn, A.; Rand, B. P. Thin‐Film Organic Heteroepitaxy. Advanced Materials 2023, 35 (35).
  19. Lin, L.-C.; Smith, T.; Ai, Q.; Rugg, B. K.; Risko, C.; Anthony, J. E.; Damrauer, N. H.; Johnson, J. C. Multiexciton Quintet State Populations in a Rigid Pyrene-Bridged Parallel Tetracene Dimer. Chemical Science 2023, 14 (41), 11554–11565.
  20. Waldrip, M.; Yu, Y.; Holley, R.; Loo, Y.-L.; Anthony, J. E.; Jurchescu, O. D. Pathway to Increase the Tolerance of Organic Transistors to Semiconductor Purity. Chemistry of Materials 2023, 35 (20), 8645–8653.
  21. Zhao, X.; Liu, T.; Loo, Y. Advancing 2D Perovskites for Efficient and Stable Solar Cells: Challenges and Opportunities. Advanced Materials 2021, 34 (3).
  22. Pensack, R. D.; Purdum, G. E.; Mazza, S. M.; Grieco, C.; Asbury, J. B.; Anthony, J. E.; Loo, Y.-L.; Scholes, G. D. Excited-State Dynamics of 5,14- vs 6,13-Bis(Trialkylsilylethynyl)-Substituted Pentacenes: Implications for Singlet Fission. The Journal of Physical Chemistry C 2022, 126 (23), 9784–9793.
  23. Zhao, X.; Liu, T.; Burlingame, Q. C.; Liu, T.; Holley, R.; Cheng, G.; Yao, N.; Gao, F.; Loo, Y.-L. Accelerated Aging of All-Inorganic, Interface-Stabilized Perovskite Solar Cells. Science 2022, 377 (6603), 307–310.
  24. Liu, T.; Zhao, X.; Zhong, X.; Burlingame, Q. C.; Kahn, A.; Loo, Y.-L. Improved Absorber Phase Stability, Performance, and Lifetime in Inorganic Perovskite Solar Cells with Alkyltrimethoxysilane Strain-Release Layers at the Perovskite/TiO2 Interface. ACS Energy Letters 2022, 7 (10), 3531–3538.
  25. Thorley, K. J.; Dremann, D.; Iqbal, H. F.; Parkin, S. R.; Jurchescu, O. D.; Anthony, J. E. Crystal Engineering of Alkylethynyl Fluoroanthradithiophenes. Molecular Systems Design & Engineering 2022, 7 (4), 374–380.
  26. Goetz, K. P.; Iqbal, H. F.; Bittle, E. G.; Hacker, C. A.; Pookpanratana, S.; Jurchescu, O. D. Organic Single Crystals of Charge-Transfer Complexes: Model Systems for the Study of Donor/Acceptor Interactions. Materials Horizons 2022, 9 , 271–280.
  27. Bhat, V.; Sornberger, P.; Pokuri, B. S. S.; Duke, R.; Ganapathysubramanian, B.; Risko, C. Electronic, Redox, and Optical Property Prediction of Organic π-Conjugated Molecules through a Hierarchy of Machine Learning Approaches. Chemical Science 2023, 14 , 203–213.
  28. Duke, R.; Bhat, V.; Risko, C. Data Storage Architectures to Accelerate Chemical Discovery: Data Accessibility for Individual Laboratories and the Community. Chemical Science 2022, 13 (46), 13646–13656.
  29. Thorley, K. J.; Le, H.; Song, Y.; Anthony, J. E. Unravelling the Major Factors in Photo-Oxidative Stability of Anthradithiophene Derivatives. Journal of Materials Chemistry C 2022, 10 (42), 15861–15871.
  30. Huang, L.-Y.; Ai, Q.; Risko, C. The Role of Crystal Packing on the Optical Response of Trialkyltetrelethynyl Acenes. The Journal of Chemical Physics 2022, 157 (8).
  31. Smith, A.; Bhat, V.; Ai, Q.; Risko, C. Challenges in Information-Mining the Materials Literature: A Case Study and Perspective. Chemistry of Materials 2022, 34 (11), 4821–4827.
  32. Mayonado, G.; Vogt, K. T.; Van Schenck, J. D. B.; Zhu, L.; Fregoso, G.; Anthony, J.; Ostroverkhova, O.; Graham, M. W. High-Symmetry Anthradithiophene Molecular Packing Motifs Promote Thermally Activated Singlet Fission. The Journal of Physical Chemistry C 2022, 126 (9), 4433–4445.
  33. Iqbal, H. F.; Ai, Q.; Thorley, K. J.; Chen, H.; McCulloch, I.; Risko, C.; Anthony, J. E.; Jurchescu, O. D. Suppressing Bias Stress Degradation in High Performance Solution Processed Organic Transistors Operating in Air. Nature Communications 2021, 12 .
  34. Engmann, S.; Bittle, E. G.; Richter, L. J.; Hallani, R. K.; Anthony, J. E.; Gundlach, D. J. The Role of Orientation in the MEL Response of OLEDs. Journal of Materials Chemistry C 2021, 9 (31), 10052–10064.
  35. Liu, T.; Burlingame, Q. C.; Sorli, J. C.; Ball, M. L.; Cheng, G.; Yao, N.; Loo, Y. The Effects of Chromophore Halogenation on the Stability of UV‐Absorbing Organic Solar Cells. Advanced Energy Materials 2021, 11 (16).
  36. Tyznik, C.; Lee, J.; Sorli, J.; Liu, X.; Holland, E. K.; Day, C. S.; Anthony, J. E.; Loo, Y.-L.; Vardeny, Z. V.; Jurchescu, O. D. Photocurrent in Metal-Halide Perovskite/Organic Semiconductor Heterostructures: Impact of Microstructure on Charge Generation Efficiency. ACS Applied Materials & Interfaces 2021, 13 (8), 10231–10238.
  37. Sorli, J. C.; Friederich, P.; Sanchez-Lengeling, B.; Davy, N. C.; Ngongang Ndjawa, G. O.; Smith, H. L.; Lin, X.; Lopez, S. A.; Ball, M. L.; Kahn, A.; Aspuru-Guzik, A.; Loo, Y.-L. Coronene Derivatives for Transparent Organic Photovoltaics through Inverse Materials Design. Journal of Materials Chemistry C 2021, 9 (4), 1310–1317.
  38. Thorley, K. J.; Benford, M.; Song, Y.; Parkin, S. R.; Risko, C.; Anthony, J. E. What Is Special about Silicon in Functionalised Organic Semiconductors? Materials Advances 2021, 2 (16), 5415–5421.
  39. Yu, L.; Zeidell, A. M.; Anthony, J. E.; Jurchescu, O. D.; Müller, C. Isothermal Crystallization and Time-Temperature-Transformation Diagram of the Organic Semiconductor 5,11-Bis(Triethylsilylethynyl)Anthradithiophene. Journal of Materials Chemistry C 2021, 9 (35), 11745–11752.
  40. Ai, Q.; Bhat, V.; Ryno, S. M.; Jarolimek, K.; Sornberger, P.; Smith, A.; Haley, M. M.; Anthony, J. E.; Risko, C. OCELOT: An Infrastructure for Data-Driven Research to Discover and Design Crystalline Organic Semiconductors. The Journal of Chemical Physics 2021, 154 (17).
  41. Iqbal, H. F.; Waldrip, M.; Chen, H.; McCulloch, I.; Jurchescu, O. D. Elucidating the Role of Water‐Related Traps in the Operation of Polymer Field‐Effect Transistors. Advanced Electronic Materials 2021, 7 (9).
  42. Iqbal, H. F.; Holland, E. K.; Anthony, J. E.; Jurchescu, O. D. Real-Time Monitoring of Trap Dynamics Reveals the Electronic States That Limit Charge Transport in Crystalline Organic Semiconductors. Materials Horizons 2020, 7 (9), 2390–2398.
  43. Tyznik, C.; Lamport, Z. A.; Sorli, J.; Becker-Koch, D.; Vaynzof, Y.; Loo, Y.-L.; Jurchescu, O. D. Laser Printed Metal Halide Perovskites. Journal of Physics: Materials 2020, 3 (3), 034010.
  44. Pace, N. A.; Rugg, B. K.; Chang, C. H.; Reid, O. G.; Thorley, K. J.; Parkin, S.; Anthony, J. E.; Johnson, J. C. Conversion between Triplet Pair States Is Controlled by Molecular Coupling in Pentadithiophene Thin Films. Chemical Science 2020, 11 (27), 7226–7238.
  45. Waldrip, M.; Iqbal, H. F.; Wadsworth, A.; McCulloch, I.; Jurchescu, O. D. Organic Thin-Film Transistors with Flame-Annealed Contacts. Flexible and Printed Electronics 2020, 5 , 014015.
  46. Haneef, H. F.; Zeidell, A. M.; Jurchescu, O. D. Charge Carrier Traps in Organic Semiconductors: A Review on the Underlying Physics and Impact on Electronic Devices. Journal of Materials Chemistry C 2020, 8 (3), 759–787.
  47. Gray, V.; Allardice, J. R.; Zhang, Z.; Dowland, S.; Xiao, J.; Petty, A. J.; Anthony, J. E.; Greenham, N. C.; Rao, A. Direct vs Delayed Triplet Energy Transfer from Organic Semiconductors to Quantum Dots and Implications for Luminescent Harvesting of Triplet Excitons. ACS Nano 2020, 14 (4), 4224–4234.
  48. Basiricò, L.; Ciavatti, A.; Fratelli, I.; Dreossi, D.; Tromba, G.; Lai, S.; Cosseddu, P.; Bonfiglio, A.; Mariotti, F.; Dalla Val, C.; Bellucci, V.; Anthony, J. E.; Fraboni, B. Medical Applications of Tissue-Equivalent, Organic-Based Flexible Direct X-Ray Detectors. Frontiers in Physics 2020, 8.
  49. Gao, G.; Chen, M.; Roberts, J.; Feng, M.; Xiao, C.; Zhang, G.; Parkin, S.; Risko, C.; Zhang, L. Rational Functionalization of a C70 Buckybowl To Enable a C70:Buckybowl Cocrystal for Organic Semiconductor Applications. Journal of the American Chemical Society 2020, 142 (5), 2460–2470.
  50. Bhardwaj, M.; Ai, Q.; Parkin, S. R.; Grossman, R. B. An Unusually Short Intermolecular N—H...N Hydrogen Bond in Crystals of the Hemi-Hydrochloride Salt of 1-Exo-Acetamidopyrrolizidine. Acta Crystallographica Section E Crystallographic Communications 2020, 76 , 77–81.
  51. Van Schenck, J. D. B.; Mayonado, G.; Anthony, J. E.; Graham, M. W.; Ostroverkhova, O. Molecular Packing-Dependent Exciton Dynamics in Functionalized Anthradithiophene Derivatives: From Solutions to Crystals. The Journal of Chemical Physics 2020, 153 (16).
  52. Pace, N. A.; Korovina, N. V.; Clikeman, T. T.; Holliday, S.; Granger, D. B.; Carroll, G. M.; Nanayakkara, S. U.; Anthony, J. E.; McCulloch, I.; Strauss, S. H.; Boltalina, O. V.; Johnson, J. C.; Rumbles, G.; Reid, O. G. Slow Charge Transfer from Pentacene Triplet States at the Marcus Optimum. Nature Chemistry 2019, 12 , 63–70.
  53. Dasari, R. R.; Wang, X.; Wiscons, R. A.; Haneef, H. F.; Ashokan, A.; Zhang, Y.; Fonari, M. S.; Barlow, S.; Coropceanu, V.; Timofeeva, T. V.; Jurchescu, O. D.; Brédas, J.; Matzger, A. J.; Marder, S. R. Charge‐Transport Properties of F6TNAP‐Based Charge‐Transfer Cocrystals. Advanced Functional Materials 2019, 29 (49).
  54. Davy, N. C.; Koch, M.; Ngongang Ndjawa, G. O.; Lin, X.; Man, G. J.; Lin, Y. L.; Sorli, J. C.; Rand, B. P.; Kahn, A.; Scholes, G. D.; Loo, Y. High‐Voltage Photogeneration Exclusively via Aggregation‐Induced Triplet States in a Heavy‐Atom‐Free Nonplanar Organic Semiconductor. Advanced Energy Materials 2019, 9 (48).
  55. Purdum, G. E.; Chen, X.; Telesz, N.; Ryno, S. M.; Sengar, N.; Gessner, T.; Risko, C.; Clancy, P.; Weitz, R. T.; Loo, Y.-L. Solvent–Molecule Interactions Govern Crystal-Habit Selection in Naphthalene Tetracarboxylic Diimides. Chemistry of Materials 2019, 31 (23), 9691–9698.
  56. Petty, A. J.; Ai, Q.; Sorli, J. C.; Haneef, H. F.; Purdum, G. E.; Boehm, A.; Granger, D. B.; Gu, K.; Rubinger, C. P. L.; Parkin, S. R.; Graham, K. R.; Jurchescu, O. D.; Loo, Y.-L.; Risko, C.; Anthony, J. E. Computationally Aided Design of a High-Performance Organic Semiconductor: The Development of a Universal Crystal Engineering Core. Chemical Science 2019, 10 (45), 10543–10549.
  57. Zeidell, A. M.; Jennings, L.; Frederickson, C. K.; Ai, Q.; Dressler, J. J.; Zakharov, L. N.; Risko, C.; Haley, M. M.; Jurchescu, O. D. Organic Semiconductors Derived from Dinaphtho-Fused s-Indacenes: How Molecular Structure and Film Morphology Influence Thin-Film Transistor Performance. Chemistry of Materials 2019, 31 (17), 6962–6970.
  58. Burnett, E. K.; Ai, Q.; Cherniawski, B. P.; Parkin, S. R.; Risko, C.; Briseno, A. L. Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure. Chemistry of Materials 2019, 31 (17), 6900–6907.
  59. Sorli, J. C.; Ai, Q.; Granger, D. B.; Gu, K.; Parkin, S.; Jarolimek, K.; Telesz, N.; Anthony, J. E.; Risko, C.; Loo, Y.-L. Impact of Atomistic Substitution on Thin-Film Structure and Charge Transport in a Germanyl-Ethynyl Functionalized Pentacene. Chemistry of Materials 2019, 31 (17), 6615–6623.
  60. Kharandiuk, T.; Hussien, E. J.; Cameron, J.; Petrina, R.; Findlay, N. J.; Naumov, R.; Klooster, W. T.; Coles, S. J.; Ai, Q.; Goodlett, S.; Risko, C.; Skabara, P. J. Noncovalent Close Contacts in Fluorinated Thiophene–Phenylene–Thiophene Conjugated Units: Understanding the Nature and Dominance of O···H versus S···F and O···F Interactions with Respect to the Control of Polymer Conformation. Chemistry of Materials 2019, 31 (17), 7070–7079.
  61. Bristow, H.; Thorley, K. J.; White, A. J. P.; Wadsworth, A.; Babics, M.; Hamid, Z.; Zhang, W.; Paterson, A. F.; Kosco, J.; Panidi, J.; Anthopoulos, T. D.; McCulloch, I. Impact of Nonfullerene Acceptor Side Chain Variation on Transistor Mobility. Advanced Electronic Materials 2019, 5 (10).
  62. Lv, L.; Roberts, J.; Xiao, C.; Jia, Z.; Jiang, W.; Zhang, G.; Risko, C.; Zhang, L. Triperyleno[3,3,3]Propellane Triimides: Achieving a New Generation of Quasi-D3h Symmetric Nanostructures in Organic Electronics. Chemical Science 2019, 10 (19), 4951–4958.
  63. Ciavatti, A.; Basiricò, L.; Fratelli, I.; Lai, S.; Cosseddu, P.; Bonfiglio, A.; Anthony, J. E.; Fraboni, B. Boosting Direct X‐Ray Detection in Organic Thin Films by Small Molecules Tailoring. Advanced Functional Materials 2018, 29 (21).
  64. Rubinger, C. P. L.; Haneef, H. F.; Hewitt, C.; Carroll, D.; Anthony, J. E.; Jurchescu, O. D. Influence of Solvent Additives on the Morphology and Electrical Properties of DiF-TES ADT Organic Field-Effect Transistors. Organic Electronics 2019, 68, 205–211.
  65. Lu, H.; Chen, X.; Anthony, J. E.; Johnson, J. C.; Beard, M. C. Sensitizing Singlet Fission with Perovskite Nanocrystals. Journal of the American Chemical Society 2019, 141 (12), 4919–4927.
  66. Harrelson, T. F.; Dantanarayana, V.; Xie, X.; Koshnick, C.; Nai, D.; Fair, R.; Nuñez, S. A.; Thomas, A. K.; Murrey, T. L.; Hickner, M. A.; Grey, J. K.; Anthony, J. E.; Gomez, E. D.; Troisi, A.; Faller, R.; Moulé, A. J. Direct Probe of the Nuclear Modes Limiting Charge Mobility in Molecular Semiconductors. Materials Horizons 2019, 6 , 182–191.
  67. Allardice, J. R.; Thampi, A.; Dowland, S.; Xiao, J.; Gray, V.; Zhang, Z.; Budden, P.; Petty, A. J.; Davis, N. J. L. K.; Greenham, N. C.; Anthony, J. E.; Rao, A. Engineering Molecular Ligand Shells on Quantum Dots for Quantitative Harvesting of Triplet Excitons Generated by Singlet Fission. Journal of the American Chemical Society 2019, 141 (32), 12907–12915.
  68. Lamport, Z. A.; Haneef, H. F.; Anand, S.; Waldrip, M.; Jurchescu, O. D. Tutorial: Organic Field-Effect Transistors: Materials, Structure and Operation. Journal of Applied Physics 2018, 124 (7).
  69. Pookpanratana, S. J.; Goetz, K. P.; Bittle, E. G.; Haneef, H.; You, L.; Hacker, C. A.; Robey, S. W.; Jurchescu, O. D.; Ovsyannikov, R.; Giangrisostomi, E. Electronic Properties and Structure of Single Crystal Perylene. Organic Electronics 2018, 61, 157–163.
  70. Lamport, Z. A.; Barth, K. J.; Lee, H.; Gann, E.; Engmann, S.; Chen, H.; Guthold, M.; McCulloch, I.; Anthony, J. E.; Richter, L. J.; DeLongchamp, D. M.; Jurchescu, O. D. A Simple and Robust Approach to Reducing Contact Resistance in Organic Transistors. Nature Communications 2018, 9 .
  71. Purdum, G. E.; Telesz, N. G.; Jarolimek, K.; Ryno, S. M.; Gessner, T.; Davy, N. C.; Petty, A. J.; Zhen, Y.; Shu, Y.; Facchetti, A.; Collis, G. E.; Hu, W.; Wu, C.; Anthony, J. E.; Weitz, R. T.; Risko, C.; Loo, Y.-L. Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs. Journal of the American Chemical Society 2018, 140 (24), 7519–7525.
  72. Hiszpanski, A. M.; Dsilva, C. J.; Kevrekidis, I. G.; Loo, Y.-L. Data Mining for Parameters Affecting Polymorph Selection in Contorted Hexabenzocoronene Derivatives. Chemistry of Materials 2018, 30 (10), 3330–3337.
  73. Pensack, R. D.; Tilley, A. J.; Grieco, C.; Purdum, G. E.; Ostroumov, E. E.; Granger, D. B.; Oblinsky, D. G.; Dean, J. C.; Doucette, G. S.; Asbury, J. B.; Loo, Y.-L.; Seferos, D. S.; Anthony, J. E.; Scholes, G. D. Striking the Right Balance of Intermolecular Coupling for High-Efficiency Singlet Fission. Chemical Science 2018, 9 (29), 6240–6259.
  74. Kroupa, D. M.; Arias, D. H.; Blackburn, J. L.; Carroll, G. M.; Granger, D. B.; Anthony, J. E.; Beard, M. C.; Johnson, J. C. Control of Energy Flow Dynamics between Tetracene Ligands and PbS Quantum Dots by Size Tuning and Ligand Coverage. Nano Letters 2018, 18 (2), 865–873.
  75. Pace, N. A.; Arias, D. H.; Granger, D. B.; Christensen, S.; Anthony, J. E.; Johnson, J. C. Dynamics of Singlet Fission and Electron Injection in Self-Assembled Acene Monolayers on Titanium Dioxide. Chemical Science 2018, 9 (11), 3004–3013.
  76. Hailey, A. K.; Petty, A. J.; Washbourne, J.; Thorley, K. J.; Parkin, S. R.; Anthony, J. E.; Loo, Y. Understanding the Crystal Packing and Organic Thin‐Film Transistor Performance in Isomeric Guest–Host Systems. Advanced Materials 2017, 29 (23).
  77. Thorley, K. J.; Finn, T. W.; Jarolimek, K.; Anthony, J. E.; Risko, C. Theory-Driven Insight into the Crystal Packing of Trialkylsilylethynyl Pentacenes. Chemistry of Materials 2016, 29 (6), 2502–2512.
  78. Ward, J. W.; Smith, H. L.; Zeidell, A.; Diemer, P. J.; Baker, S. R.; Lee, H.; Payne, M. M.; Anthony, J. E.; Guthold, M.; Jurchescu, O. D. Solution-Processed Organic and Halide Perovskite Transistors on Hydrophobic Surfaces. ACS Applied Materials & Interfaces 2017, 9 (21), 18120–18126.
  79. Mei, Y.; Diemer, P. J.; Niazi, M. R.; Hallani, R. K.; Jarolimek, K.; Day, C. S.; Risko, C.; Anthony, J. E.; Amassian, A.; Jurchescu, O. D. Crossover from Band-like to Thermally Activated Charge Transport in Organic Transistors Due to Strain-Induced Traps. Proceedings of the National Academy of Sciences 2017, 114 (33).
  80. Pensack, R. D.; Grieco, C.; Purdum, G. E.; Mazza, S. M.; Tilley, A. J.; Ostroumov, E. E.; Seferos, D. S.; Loo, Y.-L.; Asbury, J. B.; Anthony, J. E.; Scholes, G. D. Solution-Processable, Crystalline Material for Quantitative Singlet Fission. Materials Horizons 2017, 4 (5), 915–923.
  81. Ai, Q.; Getmanenko, Y. A.; Jarolimek, K.; Castañeda, R.; Timofeeva, T. V.; Risko, C. Unusual Electronic Structure of the Donor–Acceptor Cocrystal Formed by Dithieno[3,2-a:2′,3′-c]Phenazine and 7,7,8,8-Tetracyanoquinodimethane. The Journal of Physical Chemistry Letters 2017, 8 (18), 4510–4515.

People

John
Anthony

Principal Investigator

Organic Chemist  
University of Kentucky

Group website

Oana Jurchescu

Principal Investigator

Device Physicist 
Wake Forest University

Group Webpage

Yueh-Lin
Loo

Principal Investigator

Chemical Engineer
Princeton University

Group Webpage

Chad
Risko

Principal Investigator

Computational Chemist
University of Kentucky

Group Webpage

Moses
Ogbaje

Lead Developer

PhD Candidate
University of Kentucky

Vinayak
Bhat

Former Developer

PhD
University of Kentucky

Qianxiang
Ai

Former Lead Developer

PhD
University of Kentucky