Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries

Kathryn Holguin; Kaiqiang Qin; Ethan Phillip Kamphaus; Fu Chen; Lei Cheng; Gui Liang Xu; Khalil Amine; Chao Luo

doi:10.1016/j.jpowsour.2022.231383

Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries

Kathryn Holguin, Kaiqiang Qin, Ethan Phillip Kamphaus, Fu Chen, Lei Cheng, Gui Liang Xu, Khalil Amine, Chao Luo

Energy Storage & Conversion

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

Tailoring molecular structures of organic electrode materials (OEMs) can enhance their performance in Na-ion batteries, however, the substitution rules and the consequent effect on the specific capacity and working potential remain elusive. Herein, by examining three sodium carboxylates with selective N substitution or extended conjugation structure, we exploited the correlation between structure and performance to establish substitution rules for high-capacity OEMs. Our results show that substitution position and types of functional groups are essential to create active centers for uptake/removal of Na⁺ and thermodynamically stabilize organic structures. Furthermore, rational host design and electrolytes modulation were performed to extend the cycle life to 500 cycles. A full cell based on the optimal 2,2′-bipyridine-4,4′-dicarboxylic acid disodium salt anode and the polyaniline cathode is demonstrated to confirm the feasibility of achieving all-organic batteries. This work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.

Original language	English
Article number	231383
Journal	Journal of Power Sources
Volume	533
DOIs	https://doi.org/10.1016/j.jpowsour.2022.231383
State	Published - Jun 15 2022

Funding

This work was supported by the US National Science Foundation Award No. 2000102 and the George Mason University , College of Science Postdoctoral Fellowship. The authors also acknowledge the support from the George Mason University Quantum Science & Engineering Center. The solid-state 500 MHz NMR spectrometer at University of Maryland was supported by the NSF MRI grant ( NSF-1726058 ). Research at the Argonne National Laboratory was funded by the US Department of Energy ( DOE ), Vehicle Technologies Office . Support from T. Duong of the US DOE's Office of Vehicle Technologies Program is gratefully acknowledged. Ms. Motahareh Mohammadiroudbari is acknowledged for her ongoing support and technical assistance with electrochemical tests.

Keywords

Anode
Na-ion batteries
Organic electrode materials
Sodium carboxylate
Substitution rules

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title = "Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries",

abstract = "Tailoring molecular structures of organic electrode materials (OEMs) can enhance their performance in Na-ion batteries, however, the substitution rules and the consequent effect on the specific capacity and working potential remain elusive. Herein, by examining three sodium carboxylates with selective N substitution or extended conjugation structure, we exploited the correlation between structure and performance to establish substitution rules for high-capacity OEMs. Our results show that substitution position and types of functional groups are essential to create active centers for uptake/removal of Na+ and thermodynamically stabilize organic structures. Furthermore, rational host design and electrolytes modulation were performed to extend the cycle life to 500 cycles. A full cell based on the optimal 2,2′-bipyridine-4,4′-dicarboxylic acid disodium salt anode and the polyaniline cathode is demonstrated to confirm the feasibility of achieving all-organic batteries. This work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.",

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author = "Kathryn Holguin and Kaiqiang Qin and Kamphaus, {Ethan Phillip} and Fu Chen and Lei Cheng and Xu, {Gui Liang} and Khalil Amine and Chao Luo",

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AU - Holguin, Kathryn

AU - Qin, Kaiqiang

AU - Kamphaus, Ethan Phillip

AU - Chen, Fu

AU - Cheng, Lei

AU - Xu, Gui Liang

AU - Amine, Khalil

AU - Luo, Chao

PY - 2022/6/15

Y1 - 2022/6/15

N2 - Tailoring molecular structures of organic electrode materials (OEMs) can enhance their performance in Na-ion batteries, however, the substitution rules and the consequent effect on the specific capacity and working potential remain elusive. Herein, by examining three sodium carboxylates with selective N substitution or extended conjugation structure, we exploited the correlation between structure and performance to establish substitution rules for high-capacity OEMs. Our results show that substitution position and types of functional groups are essential to create active centers for uptake/removal of Na+ and thermodynamically stabilize organic structures. Furthermore, rational host design and electrolytes modulation were performed to extend the cycle life to 500 cycles. A full cell based on the optimal 2,2′-bipyridine-4,4′-dicarboxylic acid disodium salt anode and the polyaniline cathode is demonstrated to confirm the feasibility of achieving all-organic batteries. This work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.

AB - Tailoring molecular structures of organic electrode materials (OEMs) can enhance their performance in Na-ion batteries, however, the substitution rules and the consequent effect on the specific capacity and working potential remain elusive. Herein, by examining three sodium carboxylates with selective N substitution or extended conjugation structure, we exploited the correlation between structure and performance to establish substitution rules for high-capacity OEMs. Our results show that substitution position and types of functional groups are essential to create active centers for uptake/removal of Na+ and thermodynamically stabilize organic structures. Furthermore, rational host design and electrolytes modulation were performed to extend the cycle life to 500 cycles. A full cell based on the optimal 2,2′-bipyridine-4,4′-dicarboxylic acid disodium salt anode and the polyaniline cathode is demonstrated to confirm the feasibility of achieving all-organic batteries. This work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.

KW - Anode

KW - Na-ion batteries

KW - Organic electrode materials

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KW - Substitution rules

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ER -

Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries

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Keywords

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