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. 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. Nat. Chem. 2020, 12 (1), 63-70
  2. 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. Front. Phys. 2020, 8 ().
  3. 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 Crystallogr E Cryst Commun 2020, 76 (1), 77-81
  4. 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. J. Am. Chem. Soc. 2020, 142 (5), 2460-2470
  5. 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

People

John
Anthony

Organic Chemist  
University of Kentucky

Oana Jurchescu

Device Physicist 
Wake Forest University

Yueh-Lin
Loo

Chemical Engineer
Princeton University

Chad
Risko

Theoretical Chemist
University of Kentucky