Paired Ionic-electronic Conductivity in Self-assembling Conjugated Rod-ionic Coil Segmented Copolymers and Mesogens with Ionic Liquid Units
Mixed ionic/electronic conductors have been shown using traditional cumbersome research approaches to have promise for energy storage materials and to possess unexpected synergy between conducting phases. This DMREF program will accelerate the discovery of new promising mixed ionic/electronic conductors by using a dual iterative cycle to study the general phase behavior and transport dynamics of self-assembling polymeric and oligomeric liquid crystal mixed conductors. A machine learning approach will combine a genetic algorithm to propose successive generations of candidate materials, and a neural network scheme to construct a regression model to correlate input (a library of chemical groups and structures) with output variables (conductivity properties). An important aspect of the intellectual merit of this project lies in the development of processes to integrate computation, experiment and data analysis for the design of these functional materials. The proposed research is envisioned to not only shed light on the role of structure on phase behavior and charge transport, and their effect on interface sharpness and conductivity between the solid-like electronically conducting phase and the liquid-like ionically conducting regions but also lead to new applications as energy storage, sensing and robotic materials. Collaborations will provide additional expertise to this program.
Publications
Impact of varying side chain structure on organic electrochemical transistor performance: a series of oligoethylene glycol-substituted polythiophenes
S. E. Chen, L. Q. Flagg, J. W. Onorato, L. J. Richter, J. Guo, C. K. Luscombe, and D. S. Ginger
1/1/2022
The effect of side chain engineering on conjugated polymers in organic electrochemical transistors for bioelectronic applications
Y. He, N. A. Kukhta, A. Marks, and C. K. Luscombe
1/1/2022
Molecular Design Strategies toward Improvement of Charge Injection and Ionic Conduction in Organic Mixed Ionic–Electronic Conductors for Organic Electrochemical Transistors
N. A. Kukhta, A. Marks, and C. K. Luscombe
12/13/2021
Correlating conductivity and Seebeck coefficient to doping within crystalline and amorphous domains in poly(3‐(methoxyethoxyethoxy)thiophene)
T. Ma, B. X. Dong, J. W. Onorato, J. Niklas, O. Poluektov, C. K. Luscombe, and S. N. Patel
9/22/2021
Ionic Dopant‐Induced Ordering Enhances the Thermoelectric Properties of a Polythiophene‐Based Block Copolymer
B. X. Dong, Z. Liu, J. W. Onorato, T. Ma, J. Strzalka, P. Bennington, C. K. Luscombe, C. K. Ober, P. F. Nealey, and S. N. Patel
9/15/2021
Complex Relationship between Side-Chain Polarity, Conductivity, and Thermal Stability in Molecularly Doped Conjugated Polymers
B. X. Dong, C. Nowak, J. W. Onorato, T. Ma, J. Niklas, O. G. Poluektov, G. Grocke, M. F. DiTusa, F. A. Escobedo, C. K. Luscombe, P. F. Nealey, and S. N. Patel
1/6/2021
Side chain engineering control of mixed conduction in oligoethylene glycol-substituted polythiophenes
J. W. Onorato, Z. Wang, Y. Sun, C. Nowak, L. Q. Flagg, R. Li, B. X. Dong, L. J. Richter, F. A. Escobedo, P. F. Nealey, S. N. Patel, and C. K. Luscombe
1/1/2021
Leveraging Sequential Doping of Semiconducting Polymers to Enable Functionally Graded Materials for Organic Thermoelectrics
T. Ma, B. X. Dong, G. L. Grocke, J. Strzalka, and S. N. Patel
4/7/2020
Thermal Stability of π-Conjugated n-Ethylene-Glycol-Terminated Quaterthiophene Oligomers: A Computational and Experimental Study
M. Misra, Z. Liu, B. X. Dong, S. N. Patel, P. F. Nealey, C. K. Ober, and F. A. Escobedo
2/11/2020
P-Type Electrochemical Doping Can Occur by Cation Expulsion in a High-Performing Polymer for Organic Electrochemical Transistors
L. Q. Flagg, C. G. Bischak, R. J. Quezada, J. W. Onorato, C. K. Luscombe, and D. S. Ginger
2/10/2020
Framework for Inverse Mapping Chemistry-Agnostic Coarse-Grained Simulation Models into Chemistry-Specific Models
C. Nowak, M. Misra, and F. A. Escobedo
11/19/2019
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