锂离子电池介尺度电化学反应非均匀性

doi:10.16085/j.issn.1000-6613.2021-0461

摘要/Abstract

摘要：

锂离子电池是重要的一类能量存储与转化装置。本文从化工角度上出发，将电池视为一类“特殊的”化工反应器，其中也存在着“三传一反”：电子传输、离子传输、热量传递和电化学反应。电极是这些传递与反应过程发生的主要场所；在不同空间与时间尺度上，电极中的传递与反应过程具有不均匀性，进而导致电池材料的利用与失效的差异。本文进一步讨论了研究电极反应不均匀性的必要性，并从准二维电极模拟计算与多尺度表征分析技术两个角度，对不均匀电极反应过程的传质、传热过程、电化学反应过程、电极结构演变规律、电极失效机制等方面的研究进行综述，对未来高性能、长寿命和具备快充性能的电池开发具有一定的指导意义。

关键词: 锂离子电池, 反应器, 电极反应不均匀性, 准二维模型, 计算模拟, 多尺度表征

Abstract:

Lithium-ion batteries are energy-storage and conversion devices that play an important role in human society. From the chemical engineering perspective, lithium-ion battery could be considered as a special chemical reactor because it shares similar characteristics in transport and reaction phenomena, such as lithium-ion transport, electron transport, heat transport, and electrochemical reactions. These processes take place in the battery electrode with significant heterogeneities in transport and reactions across different length and time scales. Such heterogeneities lead to difference in the performance and deactivation of electrode materials. Here we first discuss the importance of studying electrode reaction heterogeneity and then review the research progress on both theoretical and experimental studies, with a focus on the results obtained from the pseudo two-dimensional modellings and multiscale characterization techniques. This review may guide the design and development of high-performance, long cycle-life, and fast-charging batteries.

Key words: lithium-ion batteries, reactor, electrode reaction heterogeneity, quasi-two-dimensional model, simulation calculation, multi-scale characterization

中图分类号:

孟德超, 马紫峰, 李林森. 锂离子电池介尺度电化学反应非均匀性[J]. 化工进展, 2021, 40(9): 4869-4881.

MENG Dechao, MA Zifeng, LI Linsen. Mesoscale reaction heterogeneities in lithium-ion batteries[J]. Chemical Industry and Engineering Progress, 2021, 40(9): 4869-4881.

图/表 4

参考文献 8

1	WHITTINGHAM M S. Electrical energy storage and intercalation chemistry[J]. Science, 1976, 192(4244): 1126-1127.
2	MIZUSHIMA K, JONES P C, WISEMAN P J, et al. Li_xCoO₂ (0<x≤1): a new cathode material for batteries of high energy density[J]. Materials Research Bulletin, 1980, 15(6): 783-789.
3	YOSHINO A, SANECHIKA K, NAKAJIMA T. Secondary battery: US5631100 A[P]. 1987.
4	黄可龙, 王兆翔, 刘素琴. 锂离子电池原理与关键技术[M]. 北京: 化学工业出版社, 2007.
	HUANG Kelong, WANG Zhaoxiang, LIU Suqin. Lithium-ion battery and key technologies [M]. Beijing: Chemical Industry Press, 2007.
5	WEST K, JACOBSEN T, ATLUNG S. Modeling of porous insertion electrodes with liquid electrolyte[J]. Journal of the Electrochemical Society, 1982, 129(7): 1480-1485.
6	DOYLE M, FULLER T F, NEWMAN J. Modeling of galvanostatic charge and discharge of the lithium/polymer/insertion cell[J]. Journal of the Electrochemical Society, 1993, 140(6): 1526-1533.
7	FULLER T F, DOYLE M, NEWMAN J. Simulation and optimization of the dual lithium ion insertion cell[J]. Journal of the Electrochemical Society, 1994, 141(1): 1-10.
9	冯毅. 锂离子电池数值模型研究[D]. 上海: 中国科学院研究生院上海微系统与信息技术研究所, 2008.
	FENG Yi. Study of mathematical model for lithium-ion battery[D]. Shanghai: Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, 2008.
10	庄全超, 杨梓, 张蕾, 等. 锂离子电池的电化学阻抗谱分析研究进展[J]. 化学进展, 2020, 32(6): 761-791.
	ZHUANG Quanchao, YANG Zi, ZHANG Lei, et al. Research progress on diagnosis of electrochemical impedance spectroscopy in lithium ion Batteries[J]. Progress in Chemistry, 2020, 32(6): 761-791.
11	VASILEIADIS A, DE KLERK N J J, SMITH R B, et al. Toward optimal performance and in-depth understanding of spinel Li₄Ti₅O₁₂ electrodes through phase field modeling[J]. Advanced Functional Materials, 2018, 28(16): 1705992.
12	FRAGGEDAKIS D, NADKARNI N, GAO T, et al. A scaling law to determine phase morphologies during ion intercalation[J]. Energy & Environmental Science, 2020, 13(7): 2142-2152.
13	NADKARNI N, ZHOU T T, FRAGGEDAKIS D, et al. Modeling the metal-insulator phase transition in Li_xCoO₂ for energy and information storage[J]. Advanced Functional Materials, 2019, 29(40): 1902821.
14	SMITH R B, KHOO E, BAZANT M Z. Intercalation kinetics in multiphase-layered materials[J]. The Journal of Physical Chemistry C, 2017, 121(23): 12505-12523.
15	HONG L, YANG K Q, TANG M. A mechanism of defect-enhanced phase transformation kinetics in lithium iron phosphate olivine[J]. Npj Computational Materials, 2019, 5: 118.
16	HONG L, LI L S, CHEN-WIEGART Y K, et al. Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate[J]. Nature Communications, 2017, 8: 1194.
17	WANG F, TANG M. Thermodynamic origin of reaction non-uniformity in battery porous electrodes and its mitigation[J]. Journal of the Electrochemical Society, 2020, 167(12): 120543.
18	WANG F, TANG M. A quantitative analytical model for predicting and optimizing the rate performance of battery cells[J]. Cell Reports Physical Science, 2020, 1(9): 100192.
19	YANG Y, XU R, ZHANG K, et al. Quantification of heterogeneous degradation in Li-ion batteries[J]. Advanced Energy Materials, 2019, 9(25): 1900674.
20	LI Y Y, GABALY F E, FERGUSON T R, et al. Current-induced transition from particle-by-particle to concurrent intercalation in phase-separating battery electrodes[J]. Nature Materials, 2014, 13(12): 1149-1156.
21	JIANG Z S, LI J Z, YANG Y, et al. Machine-learning-revealed statistics of the particle-carbon/binder detachment in lithium-ion battery cathodes[J]. Nature Communications, 2020, 11: 2310.
22	FLORES E, NOVÁK P, BERG E J. In situ and operando Raman spectroscopy of layered transition metal oxides for Li-ion battery cathodes[J]. Frontiers in Energy Research, 2018, 6: 82. DOI:10.3389/fenrg.2018.00082.
23	GILBERT J A, MARONI V A, CUI Y J, et al. Composition and impedance heterogeneity in oxide electrode cross-sections detected by Raman spectroscopy[J]. Advanced Materials Interfaces, 2018, 5(9): 1701447.
24	SETHURAMAN V A, HARDWICK L J, SRINIVASAN V, et al. Surface structural disordering in graphite upon lithium intercalation/deintercalation[J]. Journal of Power Sources, 2010, 195(11): 3655-3660.
25	CHA H, KIM J, LEE H, et al. Boosting reaction homogeneity in high-energy lithium-ion battery cathode materials[J]. Advanced Materials, 2020, 32(39): 2003040.
26	MILLER D J, ZAPOTOK D, ANZALONE P, et al. Exploring Li distribution in Li-ion batteries with FIB-SEM and TOF-SIMS[J]. Microscopy and Microanalysis, 2018, 24(S1): 370-371.
27	SHI T, ZHANG Y Q, TU Q S, et al. Characterization of mechanical degradation in an all-solid-state battery cathode[J]. Journal of Materials Chemistry A, 2020, 8(34): 17399-17404.
28	QUINN A, MOUTINHO H, USSEGLIO-VIRETTA F, et al. Electron backscatter diffraction for investigating lithium-ion electrode particle architectures[J]. Cell Reports Physical Science, 2020, 1(8): 100137.
29	ZHU X H, REVILLA R I, HUBIN A. Direct correlation between local surface potential measured by Kelvin probe force microscope and electrochemical potential of LiNi_0.80Co_0.15Al_0.05O₂ cathode at different state of charge[J]. The Journal of Physical Chemistry C, 2018, 122(50): 28556-28563.
30	KIM S H, KIM Y S, BAEK W J, et al. Nanoscale electrical resistance imaging of solid electrolyte interphases in lithium-ion battery anodes[J]. Journal of Power Sources, 2018, 407: 1-5.
31	KIM S H, KIM Y S, BAEK W J, et al. Nanoscale electrical degradation of silicon-carbon composite anode materials for lithium-ion batteries[J]. ACS Applied Materials & Interfaces, 2018, 10(29): 24549-24553.
8	DOYLE M, NEWMAN J. Analysis of capacity-rate data for lithium batteries using simplified models of the discharge process[J]. Journal of Applied Electrochemistry, 1997, 27(7): 846-856.

[1]	许家珩, 李永胜, 罗春欢, 苏庆泉. 甲醇水蒸气重整工艺的优化[J]. 化工进展, 2023, 42(S1): 41-46.
[2]	盛维武, 程永攀, 陈强, 李小婷, 魏嘉, 李琳鸽, 陈险峰. 微气泡和微液滴双强化脱硫反应器操作分析[J]. 化工进展, 2023, 42(S1): 142-147.
[3]	黄益平, 李婷, 郑龙云, 戚傲, 陈政霖, 史天昊, 张新宇, 郭凯, 胡猛, 倪泽雨, 刘辉, 夏苗, 主凯, 刘春江. 三级环流反应器中气液流动与传质规律[J]. 化工进展, 2023, 42(S1): 175-188.
[4]	马伊, 曹世伟, 王家骏, 林立群, 邢延, 曹腾良, 卢峰, 赵振伦, 张志军. 低共熔溶剂回收废旧锂离子电池正极材料的研究进展[J]. 化工进展, 2023, 42(S1): 219-232.
[5]	程涛, 崔瑞利, 宋俊男, 张天琪, 张耘赫, 梁世杰, 朴实. 渣油加氢装置杂质沉积规律与压降升高机理分析[J]. 化工进展, 2023, 42(9): 4616-4627.
[6]	罗成, 范晓勇, 朱永红, 田丰, 崔楼伟, 杜崇鹏, 王飞利, 李冬, 郑化安. 中低温煤焦油加氢反应器不同分配器中液体分布的CFD模拟[J]. 化工进展, 2023, 42(9): 4538-4549.
[7]	刘炫麟, 王驿凯, 戴苏洲, 殷勇高. 热泵中氨基甲酸铵分解反应特性及反应器结构优化[J]. 化工进展, 2023, 42(9): 4522-4530.
[8]	邓建, 王凯, 骆广生. 面向硝基化学品安全生产的绝热连续微反应技术发展及思考[J]. 化工进展, 2023, 42(8): 3923-3925.
[9]	李洞, 王倩倩, 张亮, 李俊, 付乾, 朱恂, 廖强. 非水系纳米流体热再生液流电池串联堆性能特性[J]. 化工进展, 2023, 42(8): 4238-4246.
[10]	鲁少杰, 刘佳, 冀芊竹, 李萍, 韩月阳, 陶敏, 梁文俊. 硅藻土基复合填料制备及滴滤塔去除二甲苯的性能[J]. 化工进展, 2023, 42(7): 3884-3892.
[11]	王松松, 刘培乔, 陶长元, 王运东, 陈恩之, 苗迎彬, 赵风轩, 刘作华. 工业物联网技术在搅拌反应器领域的应用[J]. 化工进展, 2023, 42(7): 3331-3339.
[12]	刘卫孝, 刘洋, 高福磊, 汪伟, 汪营磊. 微反应器在含能材料合成与品质提升中的应用[J]. 化工进展, 2023, 42(7): 3349-3364.
[13]	王昊, 霍进达, 曲国瑞, 杨家琪, 周世伟, 李博, 魏永刚. 退役锂电池正极材料资源化回收技术研究进展[J]. 化工进展, 2023, 42(5): 2702-2716.
[14]	于捷, 张文龙. 锂离子电池隔膜的发展现状与进展[J]. 化工进展, 2023, 42(4): 1760-1768.
[15]	张建伟, 许蕊, 张忠闯, 董鑫, 冯颖. 基于卷积神经网络的撞击流反应器浓度场混合特性[J]. 化工进展, 2023, 42(2): 658-668.