Research progress in failure mechanisms and electrolyte modification of high-voltage nickel-rich layered oxide-based lithium metal batteries

Abstract

High-voltage nickel (Ni)-rich layered oxide-based lithium metal batteries (LMBs) exhibit a great potential in advanced batteries due to the ultra-high energy density. However, it is still necessary to deal with the challenges in poor cyclic and thermal stability before realizing practical application where cycling life is considered. Among many improved strategies, mechanical and chemical stability for the electrode electrolyte interface plays a key role in addressing these challenges. Therefore, extensive effort has been made to address the challenges of electrode-electrolyte interface. In this progress, the failure mechanism of Ni-rich cathode, lithium metal anode and electrolytes are reviewed, and the latest breakthrough in stabilizing electrode-electrolyte interface is also summarized. Finally, the challenges and future research directions of Ni-rich LMBs are put forward.

Keywords

electrode-electrolyte interface / electrolyte modification / failure mechanisms / high voltage / lithium metal anode / nickel-rich layered oxide cathode

References

[1] Huang J, Zhu Y, Feng Y. Research progress on key materials and technologies for secondary batteries. Acta Phys Chim Sin. 2022;38(12):2208000.

[2] Long R, Wang G-L, Hu Z-L, Sun PF, Zhang L. Gradually activated lithium uptake in sodium citrate toward high-capacity organic anode for lithium-ion batteries. Rare Met. 2021;40(6):1366-1372.

[3] Wu Q, Zhang B, Lu Y. Progress and perspective of high-voltage lithium cobalt oxide in lithium-ion batteries. J Energy Chem. 2022;74:283-308.

[4] Liu Y, Yu Z, Chen J, et al. Recent development and progress of structural energy devices. Chin Chem Lett. 2022;33(4):1817-1830.

[5] Luo K, Chen X, Zheng H, Shi Z. A review of deep learning approach to predicting the state of health and state of charge of lithium-ion batteries. J Energy Chem. 2022;74:159-173.

[6] Wang Y-B, Yang Q, Guo X, et al. Strategies of binder design for high-performance lithium-ion batteries: a mini review. Rare Met. 2022;41(3):745-761.

[7] Chen H, Li M, Li C, et al. Electrospun carbon nanofibers for lithium metal anodes: Progress and perspectives. Chin Chem Lett. 2022;33(1):141-152.

[8] Wu S-J, Wu Z-H, Fang S, Qi XP, Yu B, Yang JY. A comparison of core-shell Si/C and embedded structure Si/C composites as negative materials for lithium-ion batteries. Rare Met. 2021;40(9):2440-2446.

[9] Chen Y, Kang Y, Zhao Y, et al. A review of lithium-ion battery safety concerns: the issues, strategies, and testing standards. J Energy Chem. 2021;59:83-99.

[10] Li W, Erickson EM, Manthiram A. High-nickel layered oxide cathodes for lithium-based automotive batteries. Nat Energy. 2020;5(1):26-34.

[11] Jiang M, Danilov DL, Eichel R-A, Notten PHL. A review of degradation mechanisms and recent achievements for Ni-rich cathode-based Li-ion batteries. Adv Energy Mater. 2021;11(48):2103005.

[12] Maleki Kheimeh Sari H, Li X. Controllable cathode-electrolyte interface of Li[Ni_0.8Co_0.1Mn_0.1]O₂ for lithium ion batteries: a review. Adv Energy Mater. 2019;9(39):1901597.

[13] Liang C, Jiang L, Wei Z, Zhang W, Wang Q, Sun J. Insight into the structural evolution and thermal behavior of LiNi_0.8Co_0.1Mn_0.1O₂ cathode under deep charge. J Energy Chem. 2022;65:424-432.

[14] Su Y, Zhang Q, Chen L, et al. Stress accumulation in Ni-rich layered oxide cathodes: origin, impact, and resolution. J Energy Chem. 2022;65:236-253.

[15] He W, Xie Q-S, Lin J, Qu BH, Wang LS, Peng DL. Mechanisms and applications of layer/spinel phase transition in Li-and Mn-rich cathodes for lithium-ion batteries. Rare Met. 2022;41(5):1456-1476.

[16] Wang X, Zhang B, Xiao Z, et al. Enhanced rate capability and mitigated capacity decay of ultrahigh-nickel cobalt-free LiNi_0.9Mn_0.1O₂ cathode at high-voltage by selective tungsten substitution. Chin Chem Lett. 2023;34(7):107772.

[17] Wang X, Ding Y-L, Deng Y-P, Chen Z. Ni-rich/Co-poor layered cathode for automotive Li-ion batteries: promises and challenges. Adv Energy Mater. 2020;10(12):1903864.

[18] Dai Z, Wang J, Zhao H, Bai Y. Surface coupling between mechanical and electric fields empowering Ni-rich cathodes with superior cyclabilities for lithium-ion batteries. Adv Sci. 2022;9(18):2200622.

[19] Xu C, Märker K, Lee J, et al. Bulk fatigue induced by surface reconstruction in layered Ni-rich cathodes for Li-ion batteries. Nat Mater. 2021;20(1):84-92.

[20] Lee E, Muhammad S, Kim T, Kim H, Lee W, Yoon WS. Tracking the influence of thermal expansion and oxygen vacancies on the thermal stability of Ni-rich layered cathode materials. Adv Sci. 2020;7(12):1902413.

[21] Slonchak A, Parry R, Pullinger B, et al. Structural analysis of 3′UTRs in insect flaviviruses reveals novel determinants of sfRNA biogenesis and provides new insights into flavivirus evolution. Nat Commun. 2022;13(1):1279.

[22] Koyama Y, Tanaka I, Adachi H, Makimura Y, Ohzuku T. Crystal and electronic structures of superstructural Li_1−x[Co_1/3Ni_1/3Mn_1/3]O₂ (0≤x≤1). J Power Sources. 2003;119-121:644-648.

[23] Li X, Liu J, He J, et al. Hexafluoroisopropyl trifluoromethanesulfonate-driven easily Li⁺ desolvated electrolyte to afford Li||NCM811 cells with efficient anode/cathode electrolyte interphases. Adv Funct Mater. 2021;31(37):2104395.

[24] Li X, Liu J, He J, et al. Separator-wetted, acid- and water-scavenged electrolyte with optimized Li-ion solvation to form dual efficient electrode electrolyte interphases via hexa-functional additive. Adv Sci. 2022;9(20):2201297.

[25] Wang Z, Chen C, Wang D, Zhu Y, Zhang B. Stabilizing interfaces in high-temperature NCM811-Li batteries via tuning terminal alkyl chains of ether solvents. Angew Chem Int Ed. 2023;62(28):e202303950.

[26] Hu X, Li Y, Liu J, et al. Constructing LiF/Li₂CO₃-rich heterostructured electrode electrolyte interphases by electrolyte additive for 4.5 V well-cycled lithium metal batteries. Sci Bull. 2023;68(12):1295-1305.

[27] Chae B-G, Park SY, Song JH, Lee E, Jeon WS. Evolution and expansion of Li concentration gradient during charge-discharge cycling. Nat Commun. 2021;12(1):3814.

[28] Lin Q, Guan W, Meng J, et al. A new insight into continuous performance decay mechanism of Ni-rich layered oxide cathode for high energy lithium ion batteries. Nano Energy. 2018;54:313-321.

[29] Huang Z, Gao J, He X, Li J, Jiang C. Well-ordered spherical LiNi_xCo_(1−2x)Mn_xO₂ cathode materials synthesized from cobolt concentration-gradient precursors. J Power Sources. 2012;202:284-290.

[30] Zheng J, Ye Y, Liu T, et al. Ni/Li disordering in layered transition metal oxide: electrochemical impact, origin, and control. Acc Chem Res. 2019;52(8):2201-2209.

[31] Lee J, Urban A, Li X, Su D, Hautier G, Ceder G. Unlocking the potential of cation-disordered oxides for rechargeable lithium batteries. Science. 2014;343(6170):519-522.

[32] Zhang X, Jiang WJ, Mauger A, Qilu, Gendron F, Julien CM. Minimization of the cation mixing in Li_1+x(NMC)_1−xO₂ as cathode material. J Power Sources. 2010;195(5):1292-1301.

[33] Zhu J, Sharifi-Asl S, Garcia JC, et al. Atomic-level understanding of surface reconstruction based on Li[Ni_xMn_yCo_1-x-y]O₂ single-crystal studies. ACS Appl Energy Mater. 2020;3(5):4799-4811.

[34] Zhang SS. Problems and their origins of Ni-rich layered oxide cathode materials. Energy Storage Mater. 2020;24:247-254.

[35] Zou L, Zhao W, Jia H, et al. The role of secondary particle structures in surface phase transitions of Ni-rich cathodes. Chem Mater. 2020;32(7):2884-2892.

[36] Ryu H-H, Park K-J, Yoon CS, Sun YK. Capacity fading of Ni-rich Li[Ni_xCo_yMn_1-x-y]O₂ (0.6 ≤ x ≤ 0.95) cathodes for high-energy-density lithium-ion batteries: bulk or surface degradation? Chem Mater. 2018;30(3):1155-1163.

[37] Sun HH, Ryu H-H, Kim U-H, et al. Beyond doping and coating: prospective strategies for stable high-capacity layered Ni-rich cathodes. ACS Energy Lett. 2020;5(4):1136-1146.

[38] Cheng F, Zhang X, Qiu Y, et al. Tailoring electrolyte to enable high-rate and super-stable Ni-rich NCM cathode materials for Li-ion batteries. Nano Energy. 2021;88:106301.

[39] Ryu H-H, Park K-J, Yoon DR, Aishova A, Yoon CS, Sun YK. Li[Ni_0.9Co_0.09W_0.01]O₂: a new type of layered oxide cathode with high cycling stability. Adv Energy Mater. 2019;9(44):1902698.

[40] Nam GW, Park N-Y, Park K-J, et al. Capacity fading of Ni-rich NCA cathodes: effect of microcracking extent. ACS Energy Lett. 2019;4(12):2995-3001.

[41] Yan P, Zheng J, Gu M, Xiao J, Zhang JG, Wang CM. Intragranular cracking as a critical barrier for high-voltage usage of layer-structured cathode for lithium-ion batteries. Nat Commun. 2017;8(1):14101.

[42] Li W, Reimers JN, Dahn JR. In situ x-ray diffraction and electrochemical studies of Li_1−xNiO₂. Solid State Ion. 1993;67(1):123-130.

[43] Ohzuku T, Ueda A, Nagayama M, Iwakoshi Y, Komori H. Comparative study of LiCoO₂, LiNi₁₂Co₁₂O₂ and LiNiO₂ for 4 volt secondary lithium cells. Electrochim Acta. 1993;38(9):1159-1167.

[44] Li W, Reimers JN, Dahn JR. Crystal structure of Li_xNi_2−xO₂ and a lattice-gas model for the order-disorder transition. Phys Rev B. 1992;46(6):3236-3246.

[45] Zhang H, Omenya F, Yan P, et al. Rock-salt growth-induced (003) cracking in a layered positive electrode for Li-ion batteries. ACS Energy Lett. 2017;2(11):2607-2615.

[46] Kim J-H, Ryu H-H, Kim SJ, Yoon CS, Sun YK. Degradation mechanism of highly Ni-rich Li[Ni_xCoyMn_1-x-y]O₂ cathodes with x >0.9. ACS Appl Mater Interfaces. 2019;11(34):30936-30942.

[47] Guo K, Qi S, Wang H, et al. High-voltage electrolyte chemistry for lithium batteries. Small Sci. 2022;2(5):2100107.

[48] Li W, Song B, Manthiram A. High-voltage positive electrode materials for lithium-ion batteries. Chem Soc Rev. 2017;46(10):3006-3059.

[49] Huang J, Liu J, He J, et al. Optimizing electrode/electrolyte interphases and Li-ion flux/solvation for lithium-metal batteries with qua-functional heptafluorobutyric anhydride. Angew Chem Int Ed. 2021;60(38):20717-20722.

[50] Li W, Dolocan A, Oh P, et al. Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries. Nat Commun. 2017;8(1):14589.

[51] Yu Z, Wang H, Kong X, et al. Molecular design for electrolyte solvents enabling energy-dense and long-cycling lithium metal batteries. Nat Energy. 2020;5(7):526-533.

[52] Guo W, Wei W, Zhu H, Hu Y, Jiang H, Li C. In situ surface engineering enables high interface stability and rapid reaction kinetics for Ni-rich cathodes. eScience. 2023;3(1):100082.

[53] Chen Y, Zhang Y, Chen B, Wang Z, Lu C. An approach to application for LiNi_0.6Co_0.2Mn_0.2O₂ cathode material at high cutoff voltage by TiO₂ coating. J Power Sources. 2014;256:20-27.

[54] Woo SW, Myung ST, Bang H, Kim DW, Sun YK. Improvement of electrochemical and thermal properties of Li[Ni_0.8Co_0.1Mn_0.1]O₂ positive electrode materials by multiple metal (Al, Mg) substitution. Electrochim Acta. 2009;54(15):3851-3856.

[55] Han B, Xu D, Chi S-S, et al. 500 Wh kg⁻¹ class Li metal battery enabled by a self-organized core-shell composite anode. Adv Mater. 2020;32(42):2004793.

[56] Zhao J, Zhou G, Yan K, et al. Air-stable and freestanding lithium alloy/graphene foil as an alternative to lithium metal anodes. Nat Nanotechnol. 2017;12(10):993-999.

[57] Cheng H, Sun Q, Li L, et al. Emerging era of electrolyte solvation structure and interfacial model in batteries. ACS Energy Lett. 2022;7(1):490-513.

[58] Fan X, Wang C. High-voltage liquid electrolytes for Li batteries: progress and perspectives. Chem Soc Rev. 2021;50(18):10486-10566.

[59] He M, Su C-C, Peebles C, Zhang Z. The impact of different substituents in fluorinated cyclic carbonates in the performance of high voltage lithium-ion battery electrolyte. J Electrochem Soc. 2021;168(1):010505.

[60] Hou T, Yang G, Rajput NN, et al. The influence of FEC on the solvation structure and reduction reaction of LiPF₆/EC electrolytes and its implication for solid electrolyte interphase formation. Nano Energy. 2019;64:103881.

[61] Kushwaha AK, Jena SS, Sahoo MR, Nayak SK. Electrolytic solvation effects in fluoroethylene carbonate and trifluoropropylene carbonate: a comparative study based on first-principles calculation. J Electron Mater. 2021;50(4):1807-1816.

[62] Fan X, Chen L, Borodin O, et al. Non-flammable electrolyte enables Li-metal batteries with aggressive cathode chemistries. Nat Nanotechnol. 2018;13(8):715-722.

[63] Wang Y, Li Z, Hou Y, et al. Emerging electrolytes with fluorinated solvents for rechargeable lithium-based batteries. Chem Soc Rev. 2023;52(8):2713-2763.

[64] Xue W, Huang M, Li Y, et al. Ultra-high-voltage Ni-rich layered cathodes in practical Li metal batteries enabled by a sulfonamide-based electrolyte. Nat Energy. 2021;6(5):495-505.

[65] Ren X, Chen S, Lee H, et al. Localized high-concentration sulfone electrolytes for high-efficiency lithium-metal batteries. Chem. 2018;4(8):1877-1892.

[66] Zhang Q, Liu K, Ding F, Li W, Liu X, Zhang J. Enhancing the high voltage interface compatibility of LiNi_0.5Co_0.2Mn_0.3O₂ in the succinonitrile-based electrolyte. Electrochim Acta. 2019;298:818-826.

[67] Alarco P-J, Abu-Lebdeh Y, Abouimrane A, Armand M. The plastic-crystalline phase of succinonitrile as a universal matrix for solid-state ionic conductors. Nat Mater. 2004;3(7):476-481.

[68] Isken P, Dippel C, Schmitz R, et al. High flash point electrolyte for use in lithium-ion batteries. Electrochim Acta. 2011;56(22):7530-7535.

[69] Liu Y, Fang S, Shi P, Luo D, Yang L, Hirano SI. Ternary mixtures of nitrile-functionalized glyme, non-flammable hydrofluoroether and fluoroethylene carbonate as safe electrolytes for lithium-ion batteries. J Power Sources. 2016;331:445-451.

[70] Chen R, Liu F, Chen Y, et al. An investigation of functionalized electrolyte using succinonitrile additive for high voltage lithium-ion batteries. J Power Sources. 2016;306:70-77.

[71] Lee SH, Hwang J-Y, Park S-J, Park GT, Sun YK. Adiponitrile (C₆H₈N₂): a new bi-functional additive for high-performance Li-metal batteries. Adv Funct Mater. 2019;29(30):1902496.

[72] Giffin GA. Ionic liquid-based electrolytes for “beyond lithium” battery technologies. J Mater Chem A. 2016;4(35):13378-13389.

[73] Fedorov MV, Kornyshev AA. Ionic liquids at electrified interfaces. Chem Rev. 2014;114(5):2978-3036.

[74] Eftekhari A, Liu Y, Chen P. Different roles of ionic liquids in lithium batteries. J Power Sources. 2016;334:221-239.

[75] Liu X, Mariani A, Adenusi H, Passerini S. Locally concentrated ionic liquid electrolytes for lithium-metal batteries. Angew Chem Int Ed. 2023;62(17):e202219318.

[76] Pal U, Chen F, Gyabang D, et al. Enhanced ion transport in an ether aided super concentrated ionic liquid electrolyte for long-life practical lithium metal battery applications. J Mater Chem A. 2020;8(36):18826-18839.

[77] Meisner QJ, Rojas T, Glossmann T, et al. Impact of Co-solvent and LiTFSI concentration on ionic liquid-based electrolytes for Li-S battery. J Electrochem Soc. 2020;167(7):070528.

[78] Pal U, Rakov D, Lu B, et al. Interphase control for high performance lithium metal batteries using ether aided ionic liquid electrolyte. Energ Environ Sci. 2022;15(5):1907-1919.

[79] Liu X, Zarrabeitia M, Mariani A, et al. Enhanced Li+ transport in ionic liquid-based electrolytes aided by fluorinated ethers for highly efficient lithium metal batteries with improved rate capability. Small Methods. 2021;5(7):2100168.

[80] Lee S, Park K, Koo B, et al. Safe, stable cycling of lithium metal batteries with low-viscosity, fire-retardant locally concentrated ionic liquid electrolytes. Adv Funct Mater. 2020;30(35):2003132.

[81] Wang Z, Zhang F, Sun Y, et al. Intrinsically nonflammable ionic liquid-based localized highly concentrated electrolytes enable high-performance Li-metal batteries. Adv Energy Mater. 2021;11(17):2003752.

[82] Liu X, Mariani A, Zarrabeitia M, et al. Effect of organic cations in locally concentrated ionic liquid electrolytes on the electrochemical performance of lithium metal batteries. Energy Storage Mater. 2022;44:370-378.

[83] Yan S, Wang Y, Chen T, et al. Regulated interfacial stability by coordinating ionic liquids with fluorinated solvent for high voltage and safety batteries. J Power Sources. 2021;491:229603.

[84] Liu X, Mariani A, Diemant T, et al. Difluorobenzene-based locally concentrated ionic liquid electrolyte enabling stable cycling of lithium metal batteries with nickel-rich cathode. Adv Energy Mater. 2022;12(25):2200862.

[85] Kim K, Kim Y, Park S, et al. Dual-function ethyl 4,4,4-trifluorobutyrate additive for high-performance Ni-rich cathodes and stable graphite anodes. J Power Sources. 2018;396:276-287.

[86] Li Z, Lin X, Zhou H, et al. Stabilizing the interphasial layer of Ni-rich cathode and graphite anode for lithium ion battery with multifunctional additive. J Power Sources. 2020;467:228343.

[87] Kazzazi A, Bresser D, Kuenzel M, et al. Synergistic electrolyte additives for enhancing the performance of high-voltage lithium-ion cathodes in half-cells and full-cells. J Power Sources. 2021;482:228975.

[88] Todorov YM, Aoki M, Mimura H, Fujii K, Yoshimoto N, Morita M. Thermal and electrochemical properties of nonflammable electrolyte solutions containing fluorinated alkylphosphates for lithium-ion batteries. J Power Sources. 2016;332:322-329.

[89] Wang W, Liao C, Liu L, et al. Comparable investigation of tervalent and pentavalent phosphorus based flame retardants on improving the safety and capacity of lithium-ion batteries. J Power Sources. 2019;420:143-151.

[90] Zhang H, Luo J, Qi M, et al. Enabling lithium metal anode in nonflammable phosphate electrolyte with electrochemically induced chemical reactions. Angew Chem Int Ed. 2021;60(35):19183-19190.

[91] Li S, Zhang W, Wu Q, et al. Synergistic dual-additive electrolyte enables practical lithium-metal batteries. Angew Chem Int Ed. 2020;59(35):14935-14941.

[92] Liao C, Han L, Wang W, et al. Non-flammable electrolyte with lithium nitrate as the only lithium salt for boosting ultra-stable cycling and fire-safety lithium metal batteries. Adv Funct Mater. 2023;33(17):2212605.

[93] Vidal Laveda J, Low JE, Pagani F, et al. Stabilizing capacity retention in NMC811/graphite full cells via TMSPi electrolyte additives. ACS Appl Energy Mater. 2019;2(10):7036-7044.

[94] Zheng Y, Xu N, Chen S, et al. Construction of a stable LiNi_0.8Co_0.1Mn_0.1O₂ (NCM811) cathode Interface by a multifunctional organosilicon electrolyte additive. ACS Appl Energy Mater. 2020;3(3):2837-2845.

[95] Zhao J, Zhang X, Liang Y, et al. Interphase engineering by electrolyte additives for lithium-rich layered oxides: advances and perspectives. ACS Energy Lett. 2021;6(7):2552-2564.

[96] Kim K, Hwang D, Kim S, et al. Cyclic aminosilane-based additive ensuring stable electrode-electrolyte interfaces in Li-ion batteries. Adv Energy Mater. 2020;10(15):2000012.

[97] Park MW, Park S, Choi N-S. Unanticipated mechanism of the trimethylsilyl motif in electrolyte additives on nickel-rich cathodes in lithium-ion batteries. ACS Appl Mater Interfaces. 2020;12(39):43694-43704.

[98] Wang Z, Xing L, Li J, Xu M, Li W. Triethylborate as an electrolyte additive for high voltage layered lithium nickel cobalt manganese oxide cathode of lithium ion battery. J Power Sources. 2016;307:587-592.

[99] Gu W, Xue G, Dong Q, et al. Trimethoxyboroxine as an electrolyte additive to enhance the 4.5 V cycling performance of a Ni-rich layered oxide cathode. eScience. 2022;2(5):486-493.

[100] Zhang Q, Wang K, Wang X, et al. Lithium bis(oxalate)borate reinforces the interphase on Li-metal anodes. ACS Appl Mater Interfaces. 2019;11(23):20854-20863.

[101] Wang X, Li S, Zhang W, et al. Dual-salt-additive electrolyte enables high-voltage lithium metal full batteries capable of fast-charging ability. Nano Energy. 2021;89:106353.

[102] Liu Q, Yang G, Liu S, Han M, Wang Z, Chen L. Trimethyl borate as film-forming electrolyte additive to improve high-voltage performances. ACS Appl Mater Interfaces. 2019;11(19):17435-17443.

[103] Cheng F, Zhang X, Wei P, et al. Tailoring electrolyte enables high-voltage Ni-rich NCM cathode against aggressive cathode chemistries for Li-ion batteries. Sci Bull. 2022;67(21):2225-2234.

[104] Ahn J, Yim T. Ni-rich LiNi_0.8Co_0.1Mn_0.1O₂ oxide functionalized by allyl phenyl sulfone as high-performance cathode material for lithium-ion batteries. J Alloys Compd. 2021;867:159153.

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