Publications

15. C.M. Davis, L.S. Roberts, S.R. Neefe, R. Kennedy, K. Bailey, K. Baker, D. Kaffine, M.F. Toney. "The importance of integrating energy justice into chemistry graduate student research and the associated pathways and barriers" Nat. Chem. (2024). https://doi.org/10.1038/s41557-024-01681-z

Fig.1 Transitioning STEM energy research for energy just future

14. X. Ni, H. Li, V. Coropceanu, J.L. Bredas. "Dimensionality-Dependent Electronic Properties of the Highly Conducting n-Type Polymer, Poly(benzodifurandione)" ACS Materials Lett. 2024, 6, 7, 2569-2576. https://doi.org/10.1021/acsmaterialslett.4c00624

Poly(benzodifurandione), A Highly Conducting n-Type Polymer

13. Y. Tsarfati, K.C. Bustillo, B.H. Savitzky, L. Balhorn, T.J. Quill, A. Marks, J. Donohue, S.E. Zeltmann, C.J. Takacs, A. Giovannitti, I. McCulloch, C. Ophus, A.M. Minor, A. Salleo. "The hierarchical structure of organic mixed ionic-electronic conductors and its evolution in water" Nat. Mater. (2024) 1476-4660. https://doi.org/10.1038/s41563-024-02016-6

Fig.1: Polymer structure and assembly — Fig.1:Polymer structure and assembly

12. M.K. Gish, C.D. Karunasena, J.M. Carr, W.P. Kopcha, A.L. Greenaway, A.A. Mohapatra, J. Zhang, A. Basu, V. Brosius, S.M. Pratik, J.L. Bredas, V. Coropceanu, S. Barlow, S.R. Marder, A.J. Ferguson, O.G. Reid. "The Excited-State Lifetime of Poly(NDI20D-T2) Is Intrinsically Short" J. Phys. Chem. C 2024, 128, 15, 6392-6400. https://doi.org/10.1021/acs.jpcc.4c00653

The Excited-State Lifetime of Poly(NDI20D-T2) Is intrinsically short

11. Y. Yamashita, S. Kohno, E. Longhi, S. Kumagai, S. Barlow, S.R. Marder, J. Takeya, S. Watanabe. "N-Type molecular electron doping of a semicrystalline conjugated polymer through cation exchange" Chem. Mater. 5, 79 (2024). https://doi.org/10.1038/s43246-024-00507-2

10. M.M. Durbin, A.H. Balser, J.R. Reynolds, E.L. Ratcliff, N. Stingelin, A.M. Osterholm. "Role of Side-Chain Free Volumen on the Electrochemical Behavior of Poly(propylenedioxythiophenes)" Chem. Mater. 2024, 36, 6, 2634-2641, https://doi.org/10.1021/acs.chemmater.3c02122

Side-chain free volume on Electrochemical Behavior of Poly

9. S. Yeager "SPECS Researchers Use Resonant X-ray Diffraction to Better Understand Ion Location in Doped Polymers." Frontiers in Energy Research Newsletter, Winter 2024, SPECS Researchers Use Resonant X-ray Diffraction to Better Understand Ion Location in Doped Polymers | Energy Frontier Research Center

Figure 1. Water entering the polymer film at the interface. Hydrophilic sidechains on the P3MEEMT backbone have favorable intermolecular interactions with water molecules, allowing for uptake of the water ions. This in turn brings in ions from the electrolyte.

8. T.J. Quill, G. LeCroy, A. Marks, S.A. Hesse, Q. Thiburce, I. McCulloch, C.J. Tassone, C.J. Takacs, A. Giovannitti, A. Salleo. "Charge carrier induced ordering and degradation in organic ionic electronic conductors." Advanced Materials, January 10, 2024, https://doi.org/10.1002/adma.202310157

Charge carrier induced ordering and degradation in organic mixed ionic electronic conductors

7. K. Tang, M.R. Brown, C. Risko, M.K. Gish, G. Rumbles, P.H. Pham, O.R. Luca, S. Barlow, S. Marder. "Beyond n-dopants for organic semiconductors: use of bibenzo[d]imidazoles in UV-promoted dehalogenation reactions of organic halides." Beilstein J. Org. Chem. 2023, 19, 19-12-1922, https://doi.org/10.3762/bjoc.19.142

Beyond n-dopants for organic semiconductors: use of bibenzo[d]imidazoles in UV-promoted dehalogenation reactions of organic halides

6. A.A. Mohapatra, W.K. Yual, Y. Zhang, A.A. Samoylov, J. Thurston, C.M. Davis, D.P. McCarthy, A. Printz, M.F. Toney, E.L. Ratcliff, N.R. Armstrong, A.L. Greenaway, S. Barlow, S.R. Marder. "Reducing delamination of an electron-transporting polymer from a metal oxide for electrochemical applications." Chemical Communications, 2024, 60, 988 - 991. https://doi.org/10.1039/D3CC05391A

Reducing delamination of an electron-transporting polymer from a metal oxide for electrochemical applications

5. E.L. Ratcliff, Z. Chen, C.M. Davis, E.H. Suh, M.F. Toney, N.R. Armstrong, O.G. Reid, A.L. Greenaway. "Soft Materials for Photoelectrochemical Fuel Production." ACS Energy Lett. 2023, 8, 12, 5116-5127, https://doi.org/10.1021/acsenergylett.3c01782

Soft Materials for Photoelctrochemical Fuel Productions

4. L.Q. Flagg, J.W. Onorato, C.K. Luscombe, V. Bhat, C. Risko, B. Levy-Wendt, M.F. Toney, C.R. McNeill, G. Freychet, M. Zhernenkov, R. Li, & L.J. Richter. "Resonant X-ray Diffraction Reveals the Location of Counterions in Doped Organic Mixed Ionic Conductors." Chem. Mater, 2023, 35, 10, 3960-3967, https://doi.org/10.1021/acs.chemmater.3c00180

Resonant X-ray Diffraction Reveals the Location of Counterions in Doped Organic Mixed Ionic Conductors — 2023 American Chemical Society

3. V.N. Le, J.H. Bombile, G.S. Rupasinghe, K.N. Baustert, R. Li, I.P. Maria, M. Shahi, P. Alarcon Espejo, I. McCulloch, K.R. Graham, C. Risko & A.F. Paterson. "New Chemical Dopant and Counterion Mechanism for Organic Electrochemical Transistors and Organic Mixed Ionic–Electronic Conductors." Advanced Science (2023), 2207694. DOI: 10.1002/advs.202207694

Chemical structure of a) tetrabutylammonium hydroxide (TBA-OH) and b) naphthodithiophene diimide (pNDTI-TT), used as the n-type donor–acceptor copolymer acceptor unit. — 2023 Advanced Science issue 2207694

2. Lungwitz, D., Joy, S., Mansour, A.E., Opitz, A., Karunasena, C., Li, H., Panjwani, N.A., Moudgil, K., Tang, K., Behrends, J., Barlow, S., Marder, S., Bredas, J.-L., Graham, K., Koch, N., & Kahn, A. (2023). “Spectral Signatures of a Negative Polaron in a Doped Polymer Semiconductor: Energy Levels and Hubbard U Interactions.” The Journal of Physical Chemistry Letters 14(24): 5633-5640. https://doi.org/10.1021/acs.jpclett.3c01022

Here, we provide evidence by n-doping the polymer P(NDI2OD-T2) with [RhCp*Cp]2, [N-DMBI]2, and cesium. — J. Phys.Chem. Lett. 2023, 14, 24, 5633-5640

1. Ni, X., Li, H., and Bredas, J.-L., “Electronic and Magnetic Properties of Oligomers and Chains of Poly(benzodifurandione) (PBDF), A Highly Conducting n‑Type Polymer ”, Chemistry of Materials, https://doi.org/10.1021/acs.chemmater.3c00688

Here, we theoretically investigate the electronic and magnetic properties of PBDF by taking long oligomers and one-dimensional (1D) periodic chains as model systems. With the oligomer models, we characterize the formation of polarons and bipolarons in n-doped PBDF. — Chem. Mater. 2023, 35, 15, 5886-5694