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锂离子电池中锂配位型粘结剂和带负电荷粘结剂对电解质/LiFePO正极界面附近锂局部迁移率的分子效应

Molecular Effects of Li-Coordinating Binders and Negatively Charged Binders on the Li Local Mobility near the Electrolyte/LiFePO Cathode Interface within Lithium-Ion Batteries.

作者信息

Wang Po-Yuan, Chiu Tzu-Heng, Chiu Chi-Cheng

机构信息

Program on Smart and Sustainable Manufacturing, Academy of Innovative Semiconductor and Sustainable Manufacturing, National Cheng Kung University, Tainan 701, Taiwan.

Department of Chemical Engineering, National Cheng Kung University, Tainan 701, Taiwan.

出版信息

Polymers (Basel). 2024 Jan 24;16(3):319. doi: 10.3390/polym16030319.

DOI:10.3390/polym16030319
PMID:38337208
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10856922/
Abstract

The development of lithium-ion batteries (LIBs) is important in the realm of energy storage. Understanding the intricate effects of binders on the Li transport at the cathode/electrolyte interface in LIBs remains a challenge. This study utilized molecular dynamics simulations to compare the molecular effects of conventional polyvinylidene difluoride (PVDF), Li-coordinating polyethylene oxide (PEO), and negatively charged polystyrene sulfonate (PSS) binders on local Li mobility at the electrolyte/LiFePO (LFP) cathode interface. By examining concentration profiles of Li, three different polymer binders, and anions near Li-rich LFP and Li-depleted FePO (FP) surfaces, we found a superior performance of the negatively charged PSS on enhancing Li distribution near the Li-depleted FP surface. The radial distribution function and coordination number analyses revealed the potent interactions of PEO and PSS with Li disrupting Li coordination with electrolyte solvents. Our simulations also revealed the effects of non-uniform binder dispersions on the Li local mobility near the cathode surface. The combined results provide a comparative insight into Li transport at the electrolyte/cathode interface influenced by distinct binder chemistries, offering a profound understanding of the binder designs for high-performance LIBs.

摘要

锂离子电池（LIBs）的发展在能量存储领域至关重要。了解粘结剂对LIBs中阴极/电解质界面处锂传输的复杂影响仍然是一项挑战。本研究利用分子动力学模拟来比较传统聚偏二氟乙烯（PVDF）、锂配位聚环氧乙烷（PEO）和带负电荷的聚苯乙烯磺酸盐（PSS）粘结剂对电解质/LiFePO（LFP）阴极界面处局部锂迁移率的分子影响。通过检查富锂LFP和贫锂FePO（FP）表面附近锂、三种不同聚合物粘结剂和阴离子的浓度分布，我们发现带负电荷的PSS在增强贫锂FP表面附近锂分布方面具有卓越性能。径向分布函数和配位数分析揭示了PEO和PSS与锂之间的强相互作用，破坏了锂与电解质溶剂的配位。我们的模拟还揭示了粘结剂分散不均匀对阴极表面附近锂局部迁移率的影响。综合结果提供了对受不同粘结剂化学性质影响的电解质/阴极界面处锂传输的比较性见解，为高性能LIBs的粘结剂设计提供了深刻理解。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/4422aab1772b/polymers-16-00319-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/35715b642a05/polymers-16-00319-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/b285a4aa9193/polymers-16-00319-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/08343e82e796/polymers-16-00319-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/8b94481d4378/polymers-16-00319-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/551adc7dbe54/polymers-16-00319-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/17df54c025d2/polymers-16-00319-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/c716aad7afd9/polymers-16-00319-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/2b6bfff4e8d6/polymers-16-00319-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/4422aab1772b/polymers-16-00319-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/35715b642a05/polymers-16-00319-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/b285a4aa9193/polymers-16-00319-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/08343e82e796/polymers-16-00319-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/8b94481d4378/polymers-16-00319-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/551adc7dbe54/polymers-16-00319-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/17df54c025d2/polymers-16-00319-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/c716aad7afd9/polymers-16-00319-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/2b6bfff4e8d6/polymers-16-00319-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f49/10856922/4422aab1772b/polymers-16-00319-g009.jpg

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本文引用的文献

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Revised Atomic Charges for OPLS Force Field Model of Poly(Ethylene Oxide): Benchmarks and Applications in Polymer Electrolyte.聚环氧乙烷OPLS力场模型的修订原子电荷：聚合物电解质中的基准与应用
Polymers (Basel). 2021 Apr 2;13(7):1131. doi: 10.3390/polym13071131.
2
Comparing the Ion-Conducting Polymers with Sulfonate and Ether Moieties as Cathode Binders for High-Power Lithium-Ion Batteries.将含磺酸酯和醚部分的离子导电聚合物作为高功率锂离子电池的阴极粘结剂进行比较。
ACS Appl Mater Interfaces. 2021 Mar 3;13(8):9846-9855. doi: 10.1021/acsami.0c20657. Epub 2021 Feb 17.
3
Revealing the Role of Poly(vinylidene fluoride) Binder in Si/Graphite Composite Anode for Li-Ion Batteries.
揭示聚偏氟乙烯粘结剂在锂离子电池硅/石墨复合负极中的作用。
ACS Omega. 2018 Sep 24;3(9):11684-11690. doi: 10.1021/acsomega.8b01388. eCollection 2018 Sep 30.
4
The emerging era of supramolecular polymeric binders in silicon anodes.在硅阳极中，超分子聚合物粘结剂的新兴时代。
Chem Soc Rev. 2018 Mar 21;47(6):2145-2164. doi: 10.1039/c7cs00858a. Epub 2018 Feb 7.
5
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations.重新审视用于离子液体模拟的OPLS力场参数
J Chem Theory Comput. 2017 Dec 12;13(12):6131-6145. doi: 10.1021/acs.jctc.7b00520. Epub 2017 Nov 20.
6
Material and Structural Design of Novel Binder Systems for High-Energy, High-Power Lithium-Ion Batteries.新型高能、高功率锂离子电池粘结剂体系的材料与结构设计。
Acc Chem Res. 2017 Nov 21;50(11):2642-2652. doi: 10.1021/acs.accounts.7b00402. Epub 2017 Oct 5.
7
Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes.系统的计算和实验研究聚酯基聚合物电解质中锂离子传输机制。
ACS Cent Sci. 2015 Jul 22;1(4):198-205. doi: 10.1021/acscentsci.5b00195. Epub 2015 Jul 10.
8
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Annu Rev Chem Biomol Eng. 2016 Jun 7;7:349-71. doi: 10.1146/annurev-chembioeng-080615-034655. Epub 2016 Apr 6.
9
Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids.68种独特离子液体的OPLS-AA力场参数的开发。
J Chem Theory Comput. 2009 Apr 14;5(4):1038-50. doi: 10.1021/ct900009a.
10
The Li-ion rechargeable battery: a perspective.锂离子可充电电池：一个展望。
J Am Chem Soc. 2013 Jan 30;135(4):1167-76. doi: 10.1021/ja3091438. Epub 2013 Jan 18.