Organic Semiconductors by Computationally-Accelerated Refinement (OSCAR)
Organic semiconductors are plastic versions of the silicon-based semiconductors commonly used in displays and solar panels. Organic semiconductors have great potential due to their low cost, easy processing, and complete flexibility. Unfortunately, current organic semiconductors do not yet meet the performance metrics needed for commercial adaptation. The OSCAR project aims to leap past these performance bottlenecks by creating a substantial database of organic semiconductor structures, to provide data for a machine-learning approach to design high-performance materials. The team is composed of computational and synthetic chemists, device physicists, and process engineers. We have to-date shown how processing conditions can alter the nature of intermolecular interactions in thin films to enhance device performance, and have demonstrated our first computationally-designed high-performance organic semiconductor with stability and performance metrics well beyond those needed for commercial use.
Publications
Understanding radiation-generated electronic traps in radiation dosimeters based on organic field-effect transistors
D. Dremann, E. J. Kumar, K. J. Thorley, E. Gutiérrez-Fernández, J. D. Ververs, J. D. Bourland, J. E. Anthony, A. R. S. Kandada, and O. D. Jurchescu
1/1/2024
The Stark Effect: A Tool for the Design of High-Performance Molecular Rectifiers
R. P. Sullivan, J. T. Morningstar, E. Castellanos-Trejo, M. E. Welker, and O. D. Jurchescu
11/16/2023
Pathway to Increase the Tolerance of Organic Transistors to Semiconductor Purity
M. Waldrip, Y. Yu, R. Holley, Y. Loo, J. E. Anthony, and O. D. Jurchescu
10/13/2023
Thin‐Film Organic Heteroepitaxy
J. T. Dull, X. He, J. Viereck, Q. Ai, R. Ramprasad, M. C. Otani, J. Sorli, J. W. Brandt, B. P. Carrow, A. D. Tinoco, Y. Loo, C. Risko, S. Rangan, A. Kahn, and B. P. Rand
7/13/2023
Impact of Molecular Geometry and Functionalization on Solution Complexation of Coronene-Based Buckybowls and Fullerenes
M. R. Ivancevic, M. L. Ball, V. Bhat, J. A. Wisch, S. R. Parkin, C. Risko, B. P. Rand, and Y. Loo
7/6/2023
A Study on Contact Resistance as a Function of Surface Treatment in Perovskite Field-Effect Transistors
C. Tyznik, M. Waldrip, R. P. Sullivan, M. Mirhosseini, A. Berry, S. Dwyer, H. Y. Cakir, T. Coffey, Y. Loo, and O. D. Jurchescu
5/23/2023
Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials
V. Bhat, C. P. Callaway, and C. Risko
5/4/2023
Photochemical Decomposition of Y‐Series Non‐Fullerene Acceptors Is Responsible for Degradation of High‐Efficiency Organic Solar Cells
T. Liu, Q. C. Burlingame, M. R. Ivancevic, X. Liu, J. Hu, B. P. Rand, and Y. Loo
3/8/2023
Twisted Crystalline Organic Semiconductor Photodetectors
S. Jeong, N. Barbosa, A. Tiwari, E. K. Holland, L. Huang, V. Bhat, Y. Yang, Y. Zhang, S. J. Whittaker, M. Kim, A. Alaei, P. Sundaram, R. Spencer, J. Brazard, D. M. Kalyon, C. Risko, J. E. Anthony, T. B. M. Adachi, A. G. Shtukenberg, B. Kahr, and S. S. Lee
3/6/2023
Shear-aligned large-area organic semiconductor crystals through extended π–π interaction
S. Zhang, F. Talnack, T. Jousselin-Oba, V. Bhat, Y. Wu, Y. Lei, Y. Tomo, H. Gong, L. Michalek, D. Zhong, C. Wu, A. Yassar, S. Mannsfeld, C. Risko, M. Frigoli, and Z. Bao
1/1/2023
Electronic, redox, and optical property prediction of organic π-conjugated molecules through a hierarchy of machine learning approaches
V. Bhat, P. Sornberger, B. S. S. Pokuri, R. Duke, B. Ganapathysubramanian, and C. Risko
1/1/2023
Multiexciton quintet state populations in a rigid pyrene-bridged parallel tetracene dimer
L. Lin, T. Smith, Q. Ai, B. K. Rugg, C. Risko, J. E. Anthony, N. H. Damrauer, and J. C. Johnson
1/1/2023
Voltage-dependent excitation dynamics in UV-absorbing organic photovoltaics with efficient charge transfer exciton emission
Q. C. Burlingame, X. Liu, M. L. Ball, B. P. Rand, and Y. Loo
1/1/2023
Unraveling Molecular Design Principle of Ferroelasticity in Organic Semiconductor Crystals with Two-Dimensional Brickwork Packing
S. K. Park, H. Sun, M. Bernhardt, K. Hwang, J. E. Anthony, K. Zhao, and Y. Diao
12/21/2022
Trap States Ruling Photoconductive Gain in Tissue‐Equivalent, Printed Organic X‐Ray Detectors
I. Fratelli, L. Basiricò, A. Ciavatti, Z. A. Lamport, J. E. Anthony, I. Kymissis, and B. Fraboni
10/25/2022
Improved Absorber Phase Stability, Performance, and Lifetime in Inorganic Perovskite Solar Cells with Alkyltrimethoxysilane Strain-Release Layers at the Perovskite/TiO2 Interface
T. Liu, X. Zhao, X. Zhong, Q. C. Burlingame, A. Kahn, and Y. Loo
9/22/2022
The role of crystal packing on the optical response of trialkyltetrelethynyl acenes
L. Huang, Q. Ai, and C. Risko
8/23/2022
Accelerated aging of all-inorganic, interface-stabilized perovskite solar cells
X. Zhao, T. Liu, Q. C. Burlingame, T. Liu, R. Holley, G. Cheng, N. Yao, F. Gao, and Y. Loo
7/15/2022
Highly Transparent, Scalable, and Stable Perovskite Solar Cells with Minimal Aesthetic Compromise
T. Liu, X. Zhao, P. Wang, Q. C. Burlingame, J. Hu, K. Roh, Z. Xu, B. P. Rand, M. Chen, and Y. Loo
6/7/2022
Excited-State Dynamics of 5,14- vs 6,13-Bis(trialkylsilylethynyl)-Substituted Pentacenes: Implications for Singlet Fission
R. D. Pensack, G. E. Purdum, S. M. Mazza, C. Grieco, J. B. Asbury, J. E. Anthony, Y. Loo, and G. D. Scholes
6/6/2022
Challenges in Information-Mining the Materials Literature: A Case Study and Perspective
A. Smith, V. Bhat, Q. Ai, and C. Risko
5/24/2022
High-Symmetry Anthradithiophene Molecular Packing Motifs Promote Thermally Activated Singlet Fission
G. Mayonado, K. T. Vogt, J. D. B. Van Schenck, L. Zhu, G. Fregoso, J. Anthony, O. Ostroverkhova, and M. W. Graham
2/28/2022
Data storage architectures to accelerate chemical discovery: data accessibility for individual laboratories and the community
R. Duke, V. Bhat, and C. Risko
1/1/2022
Organic single crystals of charge-transfer complexes: model systems for the study of donor/acceptor interactions
K. P. Goetz, H. F. Iqbal, E. G. Bittle, C. A. Hacker, S. Pookpanratana, and O. D. Jurchescu
1/1/2022
Unravelling the major factors in photo-oxidative stability of anthradithiophene derivatives
K. J. Thorley, H. Le, Y. Song, and J. E. Anthony
1/1/2022
Crystal engineering of alkylethynyl fluoroanthradithiophenes
K. J. Thorley, D. Dremann, H. F. Iqbal, S. R. Parkin, O. D. Jurchescu, and J. E. Anthony
1/1/2022
Advancing 2D Perovskites for Efficient and Stable Solar Cells: Challenges and Opportunities
X. Zhao, T. Liu, and Y. Loo
10/19/2021
Elucidating the Role of Water‐Related Traps in the Operation of Polymer Field‐Effect Transistors
H. F. Iqbal, M. Waldrip, H. Chen, I. McCulloch, and O. D. Jurchescu
6/24/2021
OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors
Q. Ai, V. Bhat, S. M. Ryno, K. Jarolimek, P. Sornberger, A. Smith, M. M. Haley, J. E. Anthony, and C. Risko
5/4/2021
Suppressing bias stress degradation in high performance solution processed organic transistors operating in air
H. F. Iqbal, Q. Ai, K. J. Thorley, H. Chen, I. McCulloch, C. Risko, J. E. Anthony, and O. D. Jurchescu
4/21/2021
The Effects of Chromophore Halogenation on the Stability of UV‐Absorbing Organic Solar Cells
T. Liu, Q. C. Burlingame, J. C. Sorli, M. L. Ball, G. Cheng, N. Yao, and Y. Loo
3/10/2021
Photocurrent in Metal-Halide Perovskite/Organic Semiconductor Heterostructures: Impact of Microstructure on Charge Generation Efficiency
C. Tyznik, J. Lee, J. Sorli, X. Liu, E. K. Holland, C. S. Day, J. E. Anthony, Y. Loo, Z. V. Vardeny, and O. D. Jurchescu
2/16/2021
The role of orientation in the MEL response of OLEDs
S. Engmann, E. G. Bittle, L. J. Richter, R. K. Hallani, J. E. Anthony, and D. J. Gundlach
1/1/2021
What is special about silicon in functionalised organic semiconductors?
K. J. Thorley, M. Benford, Y. Song, S. R. Parkin, C. Risko, and J. E. Anthony
1/1/2021
Isothermal crystallization and time-temperature-transformation diagram of the organic semiconductor 5,11-bis(triethylsilylethynyl)anthradithiophene
L. Yu, A. M. Zeidell, J. E. Anthony, O. D. Jurchescu, and C. Müller
1/1/2021
Coronene derivatives for transparent organic photovoltaics through inverse materials design
J. C. Sorli, P. Friederich, B. Sanchez-Lengeling, N. C. Davy, G. O. Ngongang Ndjawa, H. L. Smith, X. Lin, S. A. Lopez, M. L. Ball, A. Kahn, A. Aspuru-Guzik, and Y. Loo
1/1/2021
Molecular packing-dependent exciton dynamics in functionalized anthradithiophene derivatives: From solutions to crystals
J. D. B. Van Schenck, G. Mayonado, J. E. Anthony, M. W. Graham, and O. Ostroverkhova
10/28/2020
Organic Field‐Effect Transistors as Flexible, Tissue‐Equivalent Radiation Dosimeters in Medical Applications
A. M. Zeidell, T. Ren, D. S. Filston, H. F. Iqbal, E. Holland, J. D. Bourland, J. E. Anthony, and O. D. Jurchescu
7/30/2020
Laser printed metal halide perovskites
C. Tyznik, Z. A. Lamport, J. Sorli, D. Becker-Koch, Y. Vaynzof, Y. Loo, and O. D. Jurchescu
6/30/2020
Direct vs Delayed Triplet Energy Transfer from Organic Semiconductors to Quantum Dots and Implications for Luminescent Harvesting of Triplet Excitons
V. Gray, J. R. Allardice, Z. Zhang, S. Dowland, J. Xiao, A. J. Petty, J. E. Anthony, N. C. Greenham, and A. Rao
3/17/2020
Organic thin-film transistors with flame-annealed contacts
M. Waldrip, H. F. Iqbal, A. Wadsworth, I. McCulloch, and O. D. Jurchescu
3/5/2020
Medical Applications of Tissue-Equivalent, Organic-Based Flexible Direct X-Ray Detectors
L. Basiricò, A. Ciavatti, I. Fratelli, D. Dreossi, G. Tromba, S. Lai, P. Cosseddu, A. Bonfiglio, F. Mariotti, C. Dalla Val, V. Bellucci, J. E. Anthony, and B. Fraboni
2/5/2020
Rational Functionalization of a C70 Buckybowl To Enable a C70:Buckybowl Cocrystal for Organic Semiconductor Applications
G. Gao, M. Chen, J. Roberts, M. Feng, C. Xiao, G. Zhang, S. Parkin, C. Risko, and L. Zhang
1/3/2020
An unusually short intermolecular N—H...N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-exo-acetamidopyrrolizidine
M. Bhardwaj, Q. Ai, S. R. Parkin, and R. B. Grossman
1/1/2020
Real-time monitoring of trap dynamics reveals the electronic states that limit charge transport in crystalline organic semiconductors
H. F. Iqbal, E. K. Holland, J. E. Anthony, and O. D. Jurchescu
1/1/2020
Charge carrier traps in organic semiconductors: a review on the underlying physics and impact on electronic devices
H. F. Haneef, A. M. Zeidell, and O. D. Jurchescu
1/1/2020
Conversion between triplet pair states is controlled by molecular coupling in pentadithiophene thin films
N. A. Pace, B. K. Rugg, C. H. Chang, O. G. Reid, K. J. Thorley, S. Parkin, J. E. Anthony, and J. C. Johnson
1/1/2020
Slow charge transfer from pentacene triplet states at the Marcus optimum
N. A. Pace, N. V. Korovina, T. T. Clikeman, S. Holliday, D. B. Granger, G. M. Carroll, S. U. Nanayakkara, J. E. Anthony, I. McCulloch, S. H. Strauss, O. V. Boltalina, J. C. Johnson, G. Rumbles, and O. G. Reid
11/25/2019
High‐Voltage Photogeneration Exclusively via Aggregation‐Induced Triplet States in a Heavy‐Atom‐Free Nonplanar Organic Semiconductor
N. C. Davy, M. Koch, G. O. Ngongang Ndjawa, X. Lin, G. J. Man, Y. L. Lin, J. C. Sorli, B. P. Rand, A. Kahn, G. D. Scholes, and Y. Loo
11/19/2019
Solvent–Molecule Interactions Govern Crystal-Habit Selection in Naphthalene Tetracarboxylic Diimides
G. E. Purdum, X. Chen, N. Telesz, S. M. Ryno, N. Sengar, T. Gessner, C. Risko, P. Clancy, R. T. Weitz, and Y. Loo
11/15/2019
Charge‐Transport Properties of F6TNAP‐Based Charge‐Transfer Cocrystals
R. R. Dasari, X. Wang, R. A. Wiscons, H. F. Haneef, A. Ashokan, Y. Zhang, M. S. Fonari, S. Barlow, V. Coropceanu, T. V. Timofeeva, O. D. Jurchescu, J. Brédas, A. J. Matzger, and S. R. Marder
10/9/2019
Impact of Nonfullerene Acceptor Side Chain Variation on Transistor Mobility
H. Bristow, K. J. Thorley, A. J. P. White, A. Wadsworth, M. Babics, Z. Hamid, W. Zhang, A. F. Paterson, J. Kosco, J. Panidi, T. D. Anthopoulos, and I. McCulloch
7/23/2019
Engineering Molecular Ligand Shells on Quantum Dots for Quantitative Harvesting of Triplet Excitons Generated by Singlet Fission
J. R. Allardice, A. Thampi, S. Dowland, J. Xiao, V. Gray, Z. Zhang, P. Budden, A. J. Petty, N. J. L. K. Davis, N. C. Greenham, J. E. Anthony, and A. Rao
7/23/2019
Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure
E. K. Burnett, Q. Ai, B. P. Cherniawski, S. R. Parkin, C. Risko, and A. L. Briseno
7/22/2019
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
T. Kharandiuk, E. J. Hussien, J. Cameron, R. Petrina, N. J. Findlay, R. Naumov, W. T. Klooster, S. J. Coles, Q. Ai, S. Goodlett, C. Risko, and P. J. Skabara
6/27/2019
Organic Semiconductors Derived from Dinaphtho-Fused s-Indacenes: How Molecular Structure and Film Morphology Influence Thin-Film Transistor Performance
A. M. Zeidell, L. Jennings, C. K. Frederickson, Q. Ai, J. J. Dressler, L. N. Zakharov, C. Risko, M. M. Haley, and O. D. Jurchescu
5/22/2019
Impact of Atomistic Substitution on Thin-Film Structure and Charge Transport in a Germanyl-ethynyl Functionalized Pentacene
J. C. Sorli, Q. Ai, D. B. Granger, K. Gu, S. Parkin, K. Jarolimek, N. Telesz, J. E. Anthony, C. Risko, and Y. Loo
5/8/2019
Influence of solvent additives on the morphology and electrical properties of diF-TES ADT organic field-effect transistors
C. P. L. Rubinger, H. F. Haneef, C. Hewitt, D. Carroll, J. E. Anthony, and O. D. Jurchescu
5/1/2019
Sensitizing Singlet Fission with Perovskite Nanocrystals
H. Lu, X. Chen, J. E. Anthony, J. C. Johnson, and M. C. Beard
3/1/2019
Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors
T. F. Harrelson, V. Dantanarayana, X. Xie, C. Koshnick, D. Nai, R. Fair, S. A. Nuñez, A. K. Thomas, T. L. Murrey, M. A. Hickner, J. K. Grey, J. E. Anthony, E. D. Gomez, A. Troisi, R. Faller, and A. J. Moulé
1/1/2019
Triperyleno[3,3,3]propellane triimides: achieving a new generation of quasi-D3h symmetric nanostructures in organic electronics
L. Lv, J. Roberts, C. Xiao, Z. Jia, W. Jiang, G. Zhang, C. Risko, and L. Zhang
1/1/2019
Computationally aided design of a high-performance organic semiconductor: the development of a universal crystal engineering core
A. J. Petty, Q. Ai, J. C. Sorli, H. F. Haneef, G. E. Purdum, A. Boehm, D. B. Granger, K. Gu, C. P. L. Rubinger, S. R. Parkin, K. R. Graham, O. D. Jurchescu, Y. Loo, C. Risko, and J. E. Anthony
1/1/2019
A simple and robust approach to reducing contact resistance in organic transistors
Z. A. Lamport, K. J. Barth, H. Lee, E. Gann, S. Engmann, H. Chen, M. Guthold, I. McCulloch, J. E. Anthony, L. J. Richter, D. M. DeLongchamp, and O. D. Jurchescu
12/3/2018
Boosting Direct X‐Ray Detection in Organic Thin Films by Small Molecules Tailoring
A. Ciavatti, L. Basiricò, I. Fratelli, S. Lai, P. Cosseddu, A. Bonfiglio, J. E. Anthony, and B. Fraboni
12/2/2018
Electronic properties and structure of single crystal perylene
S. J. Pookpanratana, K. P. Goetz, E. G. Bittle, H. Haneef, L. You, C. A. Hacker, S. W. Robey, O. D. Jurchescu, R. Ovsyannikov, and E. Giangrisostomi
10/1/2018
Tutorial: Organic field-effect transistors: Materials, structure and operation
Z. A. Lamport, H. F. Haneef, S. Anand, M. Waldrip, and O. D. Jurchescu
8/17/2018
Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs
G. E. Purdum, N. G. Telesz, K. Jarolimek, S. M. Ryno, T. Gessner, N. C. Davy, A. J. Petty, Y. Zhen, Y. Shu, A. Facchetti, G. E. Collis, W. Hu, C. Wu, J. E. Anthony, R. T. Weitz, C. Risko, and Y. Loo
5/25/2018
Data Mining for Parameters Affecting Polymorph Selection in Contorted Hexabenzocoronene Derivatives
A. M. Hiszpanski, C. J. Dsilva, I. G. Kevrekidis, and Y. Loo
4/23/2018
Effect of Halogenation on the Energetics of Pure and Mixed Phases in Model Organic Semiconductors Composed of Anthradithiophene Derivatives and C60
A. Abtahi, S. M. Mazza, S. M. Ryno, E. K. Loya, R. Li, S. R. Parkin, C. Risko, J. E. Anthony, and K. R. Graham
2/8/2018
Control of Energy Flow Dynamics between Tetracene Ligands and PbS Quantum Dots by Size Tuning and Ligand Coverage
D. M. Kroupa, D. H. Arias, J. L. Blackburn, G. M. Carroll, D. B. Granger, J. E. Anthony, M. C. Beard, and J. C. Johnson
1/31/2018
Striking the right balance of intermolecular coupling for high-efficiency singlet fission
R. D. Pensack, A. J. Tilley, C. Grieco, G. E. Purdum, E. E. Ostroumov, D. B. Granger, D. G. Oblinsky, J. C. Dean, G. S. Doucette, J. B. Asbury, Y. Loo, D. S. Seferos, J. E. Anthony, and G. D. Scholes
1/1/2018
Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide
N. A. Pace, D. H. Arias, D. B. Granger, S. Christensen, J. E. Anthony, and J. C. Johnson
1/1/2018
Unusual Electronic Structure of the Donor–Acceptor Cocrystal Formed by Dithieno[3,2-a:2′,3′-c]phenazine and 7,7,8,8-Tetracyanoquinodimethane
Q. Ai, Y. A. Getmanenko, K. Jarolimek, R. Castañeda, T. V. Timofeeva, and C. Risko
9/7/2017
Crossover from band-like to thermally activated charge transport in organic transistors due to strain-induced traps
Y. Mei, P. J. Diemer, M. R. Niazi, R. K. Hallani, K. Jarolimek, C. S. Day, C. Risko, J. E. Anthony, A. Amassian, and O. D. Jurchescu
7/24/2017
Solution-Processed Organic and Halide Perovskite Transistors on Hydrophobic Surfaces
J. W. Ward, H. L. Smith, A. Zeidell, P. J. Diemer, S. R. Baker, H. Lee, M. M. Payne, J. E. Anthony, M. Guthold, and O. D. Jurchescu
5/19/2017
Understanding the Crystal Packing and Organic Thin‐Film Transistor Performance in Isomeric Guest–Host Systems
A. K. Hailey, A. J. Petty, J. Washbourne, K. J. Thorley, S. R. Parkin, J. E. Anthony, and Y. Loo
4/12/2017
Solution-processable, crystalline material for quantitative singlet fission
R. D. Pensack, C. Grieco, G. E. Purdum, S. M. Mazza, A. J. Tilley, E. E. Ostroumov, D. S. Seferos, Y. Loo, J. B. Asbury, J. E. Anthony, and G. D. Scholes
1/1/2017
Theory-Driven Insight into the Crystal Packing of Trialkylsilylethynyl Pentacenes
K. J. Thorley, T. W. Finn, K. Jarolimek, J. E. Anthony, and C. Risko
12/5/2016
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Research Highlights
A New Pathway to Stable, Low-cost, Flexible Electronics
C. Risko, J. Anthony (U. Kentucky) and Jurchescu (Wake Forest)
4/21/2021
Engaging Underrepresented Undergraduate Students in Organic Semiconductor Research
J. Anthony & C. Risko (U. Kentucky)
7/1/2021
A Simple and Robust Approach to Reducing Contact Resistance in Organic Transistors
Z. A. Lamport, K. J. Barth, H. Lee, E. Gann, S. Engmann, H. Chen, M. Guthold, I. McCulloch, J. E. Anthony, L. J. Richter, D. M. DeLongchamp, and O. D. Jurchescu
12/1/2018
Data Mining for Parameters Affecting Polymorph Selection
Yueh-Lin (Lynn) Loo (Princeton U.)
4/1/2018
Strain at Interfaces in Organic Devices
C. Risko & J. Anthony (U. Kentucky); O. Jurchescu (Wake Forest U.)
7/1/2017
OCELOT: Toward Data-driven Discovery of Organic Semiconductors
J. Anthony & C. Risko (U. Kentucky)
4/1/2021
Achieving a New Generation of 3D Nanostructures in Organic Electronics
C. Risko (U. Kentucky)
4/1/2019
View All Highlights