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Extended Conjugation Acceptors Increase Specific Energy Densities in π-Conjugated Redox Polymers

Aithal, A and Samuel, JJ and Bandyopadhyay, A and Karrothu, VK and Gangadharappa, C and Patil, S and Narayan, A and Aetukuri, NPB (2023) Extended Conjugation Acceptors Increase Specific Energy Densities in π-Conjugated Redox Polymers. In: Journal of Physical Chemistry C, 127 (11). pp. 5238-5245.

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Official URL: https://doi.org/10.1021/acs.jpcc.3c00385


Organic materials are a sustainable alternative to replace inorganic transition metal-based cathodes in rechargeable intercalation batteries. Among the possible redox active organic materials, conjugated polymers with multiple redox sites per repeat unit are expected to afford high energy and power densities while being resistant to dissolution when in contact with battery electrolytes. However, accessing the full capacity of polymeric electrodes while ensuring electrochemical reversibility has been challenging. Using diketopyrrolopyrrole (DPP)-based donor-acceptor (D-A) polymers as model systems and complementary electrochemical experiments and first-principles calculations, we show that conjugated backbone moieties that minimize charge localization on the electron accepting repeat units lead to near theoretical discharge capacities. Further, the capacity enhancement is associated with better rate performance and improved electrochemical stability of the polymer over prolonged cycling. Our work suggests that charge density on the electron accepting moiety is a potential descriptor for rationally designing redox-active polymer electrodes that afford high discharge capacities along with a long cycle life. © 2023 American Chemical Society

Item Type: Journal Article
Publication: Journal of Physical Chemistry C
Publisher: American Chemical Society
Additional Information: The copyright for this article belongs to American Chemical Society.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 25 Apr 2023 06:27
Last Modified: 25 Apr 2023 06:27
URI: https://eprints.iisc.ac.in/id/eprint/81264

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