Citation: Yajie Li, Geng Zhang, Bin Chen, Wei Zhao, Liting Sha, Da Wang, Jia Yu, Siqi Shi. Understanding the separator pore size inhibition effect on lithium dendrite via phase-field simulations[J]. Chinese Chemical Letters, ;2022, 33(6): 3287-3290. doi: 10.1016/j.cclet.2022.03.065 shu

Understanding the separator pore size inhibition effect on lithium dendrite via phase-field simulations

Yajie Li ^a ,
Geng Zhang ^{b, *,} ,
Bin Chen ^a ,
Wei Zhao ^a ,
Liting Sha ^a ,
Da Wang ^a ,
Jia Yu ^c ,
Siqi Shi ^{a, c, d, **,}

a.
School of Materials Science and Engineering, Shanghai University, Shanghai 200444, China
b.
Physical Science and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
c.
Materials Genome Institute, Shanghai University, Shanghai 200444, China
d.
Zhejiang Laboratory, Hangzhou 311100, China

geng.zhang@kaust.edu.sa

sqshi@shu.edu.cn

Received Date: 9 March 2022
Revised Date: 14 March 2022
Accepted Date: 15 March 2022
Available Online: 17 March 2022

Figures(4)

Dendrite growth in lithium-ion batteries may bring thermal run-away especially at high current densities, which remains the major bottleneck to implement safe and fast charging for portable electronic devices or electronical vehicles. Designing dendrite inhibition separators with proper pore size is considered to be one of the most promising strategies to guarantee the battery safety. However, due to the impossible observation of lithium-ion distribution under separator by experiments, the underlying dendrite inhibition mechanism is still not fully understood. Here, we apply the phase-field model, which takes the separator phase into account to construct the electrochemical system total free energy, to study the ion re-distribution behavior of porous separator and understand the pore size inhibition effect on lithium dendrite. The numerical results indicate that separator with smaller pore size is beneficial to smoother electrodeposition, since the lithium-ion concentration on the electrode surface is more uniform under denser separator pores, when their sizes is larger than the critical nucleus. The proposed model could capture the physicochemical process of electrodeposition under multiphase structures, so it could also be used to explore dendrite growth under composite electrodes and composite solid electrolytes.
- Lithium-ion batteries,
- Pore size,
- Ionic distribution,
- Phase-field simulations,
- Dendrite growth
1. [1]
  G.E. Blomgren, J. Electrochem. Soc. 164 (2017) A5019-A5025. doi: 10.1149/2.0251701jes
2. [2]
  T. Kim, W. Song, D.Y. Son, et al., J. Mater. Chem. A7 (2019) 2942-2964. doi: 10.1039/c8ta10513h
3. [3]
  D. Zhang, L. Li, W. Zhang, et al., Chin. Chem. Lett. (2022) doi: 10.1016/j.cclet.2022.01.015. doi: 10.1016/j.cclet.2022.01.015
4. [4]
  P. Arora, Z. Zhang, Chem. Rev. 104 (2004) 4419-4462. doi: 10.1021/cr020738u
5. [5]
  A. Mauger, M. Armand, C. Julien, et al., J. Power Sources353 (2017) 333-342. doi: 10.1016/j.jpowsour.2017.04.018
6. [6]
  M. Zhang, R. Liu, Z. Wang, et al., Chin. Chem. Lett. 31 (2020) 1217-1220. doi: 10.1016/j.cclet.2019.07.055
7. [7]
  K. Liu, Y.Y. Liu, D.C. Lin, et al., Sci. Adv. 4 (2018) eaas9820. doi: 10.1126/sciadv.aas9820
8. [8]
  D. Ren, X. Feng, L. Liu, et al., Energy Storage Mater. 34 (2021) 563-573. doi: 10.1016/j.ensm.2020.10.020
9. [9]
  L. Ma, R. Chen, Y. Hu, et al., Energy Storage Mater. 14 (2018) 258-266. doi: 10.5004/dwt.2018.22589
10. [10]
  J. Yang, C.Y. Wang, C.C. Wang, et al., J. Mater. Chem. A. 8 (2020) 5095-5104. doi: 10.1039/c9ta13778e
11. [11]
  Y. Gao, X. Sang, Y. Chen, et al., J. Mater. Sci. 55 (2020) 3549-3560. doi: 10.1007/s10853-019-04218-9
12. [12]
  Y. He, Z. Chang, S. Wu, et al., Adv. Energy Mater. 8 (2018) 1802130. doi: 10.1002/aenm.201802130
13. [13]
  X. Wu, N. Liu, Z. Guo, et al., Energy Storage Mater. 28 (2020) 153-159. doi: 10.1016/j.ensm.2020.03.004
14. [14]
  Y. Qin, P. Liu, Q. Zhang, et al., Small16 (2020) 2003106. doi: 10.1002/smll.202003106
15. [15]
  J. Cannarella, C.B. Arnold, J. Electrochem. Soc. 162 (2015) A1365-A1373. doi: 10.1149/2.1051507jes
16. [16]
  R. Pan, R. Sun, Z. Wang, et al., Nano Energy55 (2019) 316-326. doi: 10.1016/j.nanoen.2018.11.005
17. [17]
  W.K. Shin, A.G. Kannan, D.W. Kim, ACS Appl. Mater. Interfaces7 (2015) 23700-23707. doi: 10.1021/acsami.5b07730
18. [18]
  C.Z. Zhao, P.Y. Chen, R. Zhang, et al., Sci. Adv. 4 (2018) eaat3446. doi: 10.1126/sciadv.aat3446
19. [19]
  L. Shen, X. Liu, J. Dong, et al., J. Energy Chem. 52 (2021) 262-268. doi: 10.1016/j.jechem.2020.04.058
20. [20]
  L. Xu, X.Y. D. Ma, W. Wang, et al., J. Mater. Chem. A9 (2021) 3409-3417. doi: 10.1039/d0ta10073k
21. [21]
  J.W. Lee, A.M. Soomro, M. Waqas, et al., Int. J. Energy Res. 44 (2020) 7035-7046. doi: 10.1002/er.5371
22. [22]
  M. Yang, Y. Ji, Y. Dong, et al., Chin. Chem. Lett. (2022) doi: 10.1016/j.cclet.2021.12.079. doi: 10.1016/j.cclet.2021.12.079
23. [23]
  P.J.H. Kim, V.G. Pol, ACS Appl. Mater. Interfaces11 (2019) 3917-3924. doi: 10.1021/acsami.8b18660
24. [24]
  H. Zheng, Y. Xie, H. Xiang, et al., Electrochim. Acta270 (2018) 62-69. doi: 10.1016/j.electacta.2018.03.089
25. [25]
  Y. Wang, Nano Micro Lett. 13 (2021) 1-3. doi: 10.1007/s40820-020-00525-y
26. [26]
  Y. Xie, H. Xiang, P. Shi, et al., J. Membr. Sci. 524 (2017) 315-320. doi: 10.1016/j.memsci.2016.11.021
27. [27]
  J.Y. Kim, D.O. Shin, K.M. Kim, et al., Sci. Rep. 9 (2019) 1-7. doi: 10.1038/s41598-018-37186-2
28. [28]
  S.Q. Shi, J. Gao, Y. Liu, et al., Chin. Phys. B25(2015) 018212.
29. [29]
  Q. Wang, G. Zhang, Y. Li, et al., npj Comput. Mater. 6 (2020) 1-8. doi: 10.1038/s41524-019-0267-z
30. [30]
  G. Zhang, Q. Wang, L.T. Sha, et al., Acta Phys. Sin. 69 (2020) 226401. doi: 10.7498/aps.69.20201411
31. [31]
  C. Monroe, J. Newman, J. Electrochem. Soc. 150 (2003) A1377. doi: 10.1149/1.1606686
32. [32]
  J.E. Guyer, W.J. Boettinger, J.A. Warren, et al., Phys. Rev. E69 (2004) 021603. doi: 10.1103/PhysRevE.69.021603
33. [33]
  J.E. Guyer, W.J. Boettinger, J.A. Warren, et al., Phys. Rev. E69 (2004) 021604. doi: 10.1103/PhysRevE.69.021604
34. [34]
  Y. Okajima, Y. Shibuta, T. Suzuki, Comput. Mater. Sci. 50 (2010) 118-124. doi: 10.1016/j.commatsci.2010.07.015
35. [35]
  Y. Shibuta, Y. Okajima, T. Suzuki, Sci. Technol. Adv. Mater. 8 (2007) 511. doi: 10.1016/j.stam.2007.08.001
36. [36]
  L. Liang, Y. Qi, F Xue, et al., Phys. Rev. E86 (2012) 051609. doi: 10.1103/PhysRevE.86.051609
37. [37]
  L. Liang, L.Q. Chen, Appl. Phys. Lett. 105 (2014) 263903. doi: 10.1063/1.4905341
38. [38]
  L. Chen, H.W. Zhang, L.Y. Liang, et al., J. Power Sources300 (2015) 376-385. doi: 10.1016/j.jpowsour.2015.09.055
39. [39]
  A. Jana, D.R. Ely, R.E. García, J. Power Sources275 (2015) 912-921. doi: 10.1016/j.jpowsour.2014.11.056
40. [40]
  V. Yurkiv, T. Foroozan, A. Ramasubramanian, et al., Electrochim. Acta265 (2018) 609-619. doi: 10.1016/j.electacta.2018.01.212
41. [41]
  Z. Hong, V. Viswanathan, ACS Energy Lett. 3 (2018) 1737-1743. doi: 10.1021/acsenergylett.8b01009
42. [42]
  R. Zhang, X. Shen, X.B. Cheng, et al., Energy Storage Mater. 23 (2019) 556-565. doi: 10.1016/j.ensm.2019.03.029
1. [1]
  Ze Liu , Xiaochen Zhang , Jinlong Luo , Yingjian Yu . Application of metal-organic frameworks to the anode interface in metal batteries. Chinese Chemical Letters, 2024, 35(11): 109500-. doi: 10.1016/j.cclet.2024.109500
2. [2]
  Mei-Chen Liu , Qing-Song Liu , Yi-Zhou Quan , Jia-Ling Yu , Gang Wu , Xiu-Li Wang , Yu-Zhong Wang . Phosphorus-silicon-integrated electrolyte additive boosts cycling performance and safety of high-voltage lithium-ion batteries. Chinese Chemical Letters, 2024, 35(8): 109123-. doi: 10.1016/j.cclet.2023.109123
3. [3]
  Guihuang Fang , Ying Liu , Yangyang Feng , Ying Pan , Hongwei Yang , Yongchuan Liu , Maoxiang Wu . Tuning the ion-dipole interactions between fluoro and carbonyl (EC) by electrolyte design for stable lithium metal batteries. Chinese Chemical Letters, 2025, 36(1): 110385-. doi: 10.1016/j.cclet.2024.110385
4. [4]
  Zhong-Hui Sun , Yu-Qi Zhang , Zhen-Yi Gu , Dong-Yang Qu , Hong-Yu Guan , Xing-Long Wu . CoPSe nanoparticles confined in nitrogen-doped dual carbon network towards high-performance lithium/potassium ion batteries. Chinese Chemical Letters, 2025, 36(1): 109590-. doi: 10.1016/j.cclet.2024.109590
5. [5]
  Xingang Kong , Yabei Su , Cuijuan Xing , Weijie Cheng , Jianfeng Huang , Lifeng Zhang , Haibo Ouyang , Qi Feng . Facile synthesis of porous TiO₂/SnO₂ nanocomposite as lithium ion battery anode with enhanced cycling stability via nanoconfinement effect. Chinese Chemical Letters, 2024, 35(11): 109428-. doi: 10.1016/j.cclet.2023.109428
6. [6]
  Hui Gu , Mingyue Gao , Kuan Shen , Tianli Zhang , Junhao Zhang , Xiangjun Zheng , Xingmei Guo , Yuanjun Liu , Fu Cao , Hongxing Gu , Qinghong Kong , Shenglin Xiong . F127 assisted fabrication of Ge/rGO/CNTs nanocomposites with three-dimensional network structure for efficient lithium storage. Chinese Chemical Letters, 2024, 35(9): 109273-. doi: 10.1016/j.cclet.2023.109273
7. [7]
  Peng Zhou , Ziang Jiang , Yang Li , Peng Xiao , Feixiang Wu . Sulphur-template method for facile manufacturing porous silicon electrodes with enhanced electrochemical performance. Chinese Chemical Letters, 2024, 35(8): 109467-. doi: 10.1016/j.cclet.2023.109467
8. [8]
  Guihuang Fang , Wei Chen , Hongwei Yang , Haisheng Fang , Chuang Yu , Maoxiang Wu . Improved performance of LiMn_0.8Fe_0.2PO₄ by addition of fluoroethylene carbonate electrolyte additive. Chinese Chemical Letters, 2024, 35(6): 108799-. doi: 10.1016/j.cclet.2023.108799
9. [9]
  Wendi Dou , Guangying Wan , Tiefeng Liu , Lin Han , Wu Zhang , Chuang Sun , Rensheng Song , Jianhui Zheng , Yujing Liu , Xinyong Tao . Conductive composite binder for recyclable LiFePO₄ cathode. Chinese Chemical Letters, 2024, 35(11): 109389-. doi: 10.1016/j.cclet.2023.109389
10. [10]
  Xin-Tong Zhao , Jin-Zhi Guo , Wen-Liang Li , Jing-Ping Zhang , Xing-Long Wu . Two-dimensional conjugated coordination polymer monolayer as anode material for lithium-ion batteries: A DFT study. Chinese Chemical Letters, 2024, 35(6): 108715-. doi: 10.1016/j.cclet.2023.108715
11. [11]
  Haijiao Liu , Qiao Feng , Yu Huang , Feng Wu , Yali Liu , Minxia Shen , Xiao Guo , Wenting Dai , Weining Qi , Yifan Zhang , Lu Li , Qiyuan Wang , Bianhong Zhou , Jianjun Li . Composition and size distribution of wintertime inorganic aerosols at ground and alpine regions of northwest China. Chinese Chemical Letters, 2024, 35(11): 109636-. doi: 10.1016/j.cclet.2024.109636
12. [12]
  Zhihong LUO , Yan SHI , Jinyu AN , Deyi ZHENG , Long LI , Quansheng OUYANG , Bin SHI , Jiaojing SHAO . Two-dimensional silica-modified polyethylene oxide solid polymer electrolyte to enhance the performance of lithium-ion batteries. Chinese Journal of Inorganic Chemistry, 2024, 40(5): 1005-1014. doi: 10.11862/CJIC.20230444
13. [13]
  Yun Wei , Lei Zhou , Wenbin Hu , Liming Yang , Guang Yang , Chaoqiang Wang , Hui Shi , Fei Han , Yufa Feng , Xuan Ding , Penghui Shao , Xubiao Luo . Recovery of cathode copper and ternary precursors from CuS slag derived by waste lithium-ion batteries: Process analysis and evaluation. Chinese Chemical Letters, 2024, 35(7): 109172-. doi: 10.1016/j.cclet.2023.109172
14. [14]
  Mianying Huang , Zhiguang Xu , Xiaoming Lin . Mechanistic analysis of Co2VO4/X (X = Ni, C) heterostructures as anode materials of lithium-ion batteries. Chinese Journal of Structural Chemistry, 2024, 43(7): 100309-100309. doi: 10.1016/j.cjsc.2023.100309
15. [15]
  Xin Li , Ling Zhang , Yunyan Fan , Shaojing Lin , Yong Lin , Yongsheng Ying , Meijiao Hu , Haiying Gao , Xianri Xu , Zhongbiao Xia , Xinchuan Lin , Junjie Lu , Xiang Han . Carbon interconnected microsized Si film toward high energy room temperature solid-state lithium-ion batteries. Chinese Chemical Letters, 2025, 36(2): 109776-. doi: 10.1016/j.cclet.2024.109776
16. [16]
  Qi Li , Pingan Li , Zetong Liu , Jiahui Zhang , Hao Zhang , Weilai Yu , Xianluo Hu . Fabricating Micro/Nanostructured Separators and Electrode Materials by Coaxial Electrospinning for Lithium-Ion Batteries: From Fundamentals to Applications. Acta Physico-Chimica Sinica, 2024, 40(10): 2311030-. doi: 10.3866/PKU.WHXB202311030
17. [17]
  Yifeng Xu , Jiquan Liu , Bin Cui , Yan Li , Gang Xie , Ying Yang . “Xiao Li’s School Adventures: The Working Principles and Safety Risks of Lithium-ion Batteries”. University Chemistry, 2024, 39(9): 259-265. doi: 10.12461/PKU.DXHX202404009
18. [18]
  Haixia Wu , Kailu Guo . Iodized polyacrylonitrile as fast-charging anode for lithium-ion battery. Chinese Chemical Letters, 2024, 35(10): 109550-. doi: 10.1016/j.cclet.2024.109550
19. [19]
  Jia-hui Li , Jinkai Qiu , Cheng Lian . Lithium-ion rapid transport mechanism and channel design in solid electrolytes. Chinese Journal of Structural Chemistry, 2025, 44(1): 100381-100381. doi: 10.1016/j.cjsc.2024.100381
20. [20]
  Xuejie Gao , Xinyang Chen , Ming Jiang , Hanyan Wu , Wenfeng Ren , Xiaofei Yang , Runcang Sun . Long-lifespan thin Li anode achieved by dead Li rejuvenation and Li dendrite suppression for all-solid-state lithium batteries. Chinese Chemical Letters, 2024, 35(10): 109448-. doi: 10.1016/j.cclet.2023.109448

Get Citation

PDF

XML

Metrics

PDF Downloads(5)
Abstract views(611)
HTML views(36)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142