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

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

doi:10.1016/j.jpowsour.2022.231383

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. Lastly, this work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.

Authors:

Holguin, Kathryn ^[1]; Qin, Kaiqiang ^[1];

^[2]; Chen, Fu ^[3]; Cheng, Lei ^[2]; Xu, Gui-Liang ^[2]; Amine, Khalil ^[4];

^[1]

George Mason Univ., Fairfax, VA (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)
Univ. of Maryland, College Park, MD (United States)
Argonne National Lab. (ANL), Lemont, IL (United States); Stanford Univ., CA (United States)

Publication Date:: Sun Apr 03 00:00:00 EDT 2022

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office - Battery Materials Research (BMR) Program; National Science Foundation (NSF)

OSTI Identifier:: 1880098

Grant/Contract Number:: AC02-06CH11357; NSF-1726058

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Power Sources

Additional Journal Information:: Journal Volume: 533; Journal ID: ISSN 0378-7753

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 25 ENERGY STORAGE; Sodium carboxylate; Organic electrode materials; Na-ion batteries; Anode; Substitution rules

Citation Formats


                    Holguin, Kathryn, Qin, Kaiqiang, Kamphaus, Ethan Phillip, Chen, Fu, Cheng, Lei, Xu, Gui-Liang, Amine, Khalil, and Luo, Chao. Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries.  United States: N. p., 2022. 
Web.  doi:10.1016/j.jpowsour.2022.231383.

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                    Holguin, Kathryn, Qin, Kaiqiang, Kamphaus, Ethan Phillip, Chen, Fu, Cheng, Lei, Xu, Gui-Liang, Amine, Khalil, & Luo, Chao. Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries.  United States.  https://doi.org/10.1016/j.jpowsour.2022.231383

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                    Holguin, Kathryn, Qin, Kaiqiang, Kamphaus, Ethan Phillip, Chen, Fu, Cheng, Lei, Xu, Gui-Liang, Amine, Khalil, and Luo, Chao. Sun .  
"Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries".  United States.  https://doi.org/10.1016/j.jpowsour.2022.231383.  https://www.osti.gov/servlets/purl/1880098.

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@article{osti_1880098,

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

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

  abstractNote = {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. Lastly, this work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.},

  doi          = {10.1016/j.jpowsour.2022.231383},

  journal      = {Journal of Power Sources},

  number       = ,

  volume       = 533,

  place        = {United States},

  year         = {Sun Apr 03 00:00:00 EDT 2022},

  month        = {Sun Apr 03 00:00:00 EDT 2022}

}

Copy to clipboard

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

Abstract

Citation Formats

Hexacyanoferrate‐Type Prussian Blue Analogs: Principles and Advances Toward High‐Performance Sodium and Potassium Ion Batteries journal, May 2020

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Organic electrode materials for non-aqueous, aqueous, and all-solid-state Na-ion batteries
journal, January 2021

Disodium Terephthalate (Na2C8H4O4) as High Performance Anode Material for Low-Cost Room-Temperature Sodium-Ion Battery
journal, May 2012