Impact of in coin cell atmosphere on lithium metal battery performance

Abstract

Research on lithium metal as a high-capacity anode for future lithium metal batteries (LMBs) is currently at an all-time high. To date, the different influences of a highly pure argon glovebox (GB) and an industry-relevant ambient dry room (DR) atmosphere have received little attention in the scientific community. In this paper, we report on the impact of in coin cell atmosphere (ICCA) on the performance of an LMB as well as its interphase characteristics and properties in combination with three organic carbonate-based electrolytes with and without two well-known interphase-forming additives, namely fluoroethylene carbonate (FEC) and vinylene carbonate (VC). The results obtained from this carefully executed systematic study show a substantial impact of the ICCA on solid electrolyte interphase (SEI) resistance (R_SEI) and lithium stripping/plating homogeneity. In a transition metal cathode (NMC811) containing LMBs, a DR ICCA results in an up to 50% increase in lifetime due to the improved chemical composition of the cathode electrolyte interphase (CEI). Furthermore, different impacts on electrode characteristics and cell performance were observed depending on the utilized functional additive. Since this study focuses on a largely overlooked influential factor of LMB performance, it highlights the importance of comparability and transparency in published research and the importance of taking differences between research and industrial environments into consideration in the aim of establishing and commercializing LMB cell components.

Keywords

Lithium metal battery / in coin cell atmosphere / liquid electrolyte / film-forming additive / solid electrolyte interphase / cathode electrolyte interphase

References

[1] Winter M,Xu K.Before Li ion batteries.Chem Rev2018;118:11433-56

[2] Zhang JG,Xiao J,Liu J.Lithium metal anodes with nonaqueous electrolytes.Chem Rev2020;120:13312-48

[3] Xu K.Electrolytes and interphases in Li-ion batteries and beyond.Chem Rev2014;114:11503-618

[4] Bieker P.Was braucht man für eine super-batterie?.Chemie Unserer Zeit2016;50:26-33

[5] Xu K.Nonaqueous liquid electrolytes for lithium-based rechargeable batteries.Chem Rev2004;104:4303-417

[6] Horstmann B,Amine R.Strategies towards enabling lithium metal in batteries: interphases and electrodes.Energy Environ Sci2021;14:5289-314

[7] Kühn SP,Bela M.Back to the basics: advanced understanding of the as-defined solid electrolyte interphase on lithium metal electrodes.J Power Sources2022;549:232118

[8] Peled E.The electrochemical behavior of alkali and alkaline earth metals in nonaqueous battery systems - the solid electrolyte interphase model.J Electrochem Soc1979;126:2047-51

[9] Peled E.Review - SEI: past, present and future.J Electrochem Soc2017;164:A1703-19

[10] Jie Y,Cao R,Jiao S.Advanced liquid electrolytes for rechargeable Li metal batteries.Adv Funct Mater2020;30:1910777

[11] Yang H,Naveed A.Recent progress and perspective on lithium metal anode protection.Energy Stor Mater2018;14:199-221

[12] Xia L,Zhang C,Yuan J.Review - recent advances in non-aqueous liquid electrolytes containing fluorinated compounds for high energy density lithium-ion batteries.Energy Stor Mater2021;38:542-70

[13] Yasin G,Mehtab T.Understanding and suppression strategies toward stable Li metal anode for safe lithium batteries.Energy Stor Mater2020;25:644-78

[14] Delaporte N,Zaghib K.Pre-treatments of lithium foil surface for improving the cycling life of Li metal batteries.Front Mater2019;6:267

[15] Zhou H,Liu H.Protective coatings for lithium metal anodes: recent progress and future perspectives.J Power Sources2020;450:227632

[16] Gao S,Liu N,Cao P.Ionic conductive polymers as artificial solid electrolyte interphase films in Li metal batteries - a review.Mater Today2020;40:140-59

[17] Kang D,Lemmon JP.Artificial solid-electrolyte interphase for lithium metal batteries.Batteries Supercaps2021;4:445-55

[18] Li Y,Gao R,Ye H.Recent smart lithium anode configurations for high-energy lithium metal batteries.Energy Stor Mater2021;38:262-75

[19] Zhan Y,Zhang X.The insights of lithium metal plating/stripping in porous hosts: progress and perspectives.Energy Technol2021;9:2000700

[20] Cheng Y,Chen Y.Lithium host: advanced architecture components for lithium metal anode.Energy Stor Mater2021;38:276-98

[21] Zhou Y.External pressure: an overlooked metric in evaluating next-generation battery performance.Curr Opin Electrochem2022;31:100916

[22] Fang C,Pawar G.Pressure-tailored lithium deposition and dissolution in lithium metal batteries.Nat Energy2021;6:987-94

[23] Xiao J,Bi Y.Understanding and applying coulombic efficiency in lithium metal batteries.Nat Energy2020;5:561-8

[24] Adams BD,Ren X,Zhang J.Accurate determination of coulombic efficiency for lithium metal anodes and lithium metal batteries.Adv Energy Mater2018;8:1702097

[25] Dai F.Best practices in lithium battery cell preparation and evaluation.Commun Mater2022;3:64-70

[26] Song W,Logan E.A systematic study of electrolyte additives in single crystal and bimodal LiNi_0.8Mn_0.1Co_0.1O₂/graphite pouch cells.J Electrochem Soc2021;168:090503

[27] Harlow JE,Li J.A wide range of testing results on an excellent lithium-ion cell chemistry to be used as benchmarks for new battery technologies.J Electrochem Soc2019;166:A3031-44

[28] Sicklinger J,Beyer H,Gasteiger HA.Ambient storage derived surface contamination of NCM811 and NCM111: performance implications and mitigation strategies.J Electrochem Soc2019;166:A2322-35

[29] Li Y,Sun Y.Revealing nanoscale passivation and corrosion mechanisms of reactive battery materials in gas environments.Nano Lett2017;17:5171-8

[30] Otto S,Krauskopf T.In-depth characterization of lithium-metal surfaces with XPS and ToF-SIMS: toward better understanding of the passivation layer.Chem Mater2021;33:859-67

[31] Otto S,Moryson Y.Storage of lithium metal: the role of the native passivation layer for the anode interface resistance in solid state batteries.ACS Appl Energy Mater2021;4:12798-807

[32] Momma T,Yamagami S,Osaka T.Effect of the atmosphere on chemical composition and electrochemical properties of solid electrolyte interface on electrodeposited Li metal.J Power Sources2011;196:6483-7

[33] Bläubaum L,Schmidt L.The effects of gas saturation of electrolytes on the performance and durability of lithium-ion batteries.ChemSusChem2021;14:2943-51 PMCID:PMC8361957

[34] Stark JK,Kohl PA.Role of dissolved gas in ionic liquid electrolytes for secondary lithium metal batteries.J Phys Chem C2013;117:4980-5

[35] Wang E,Liu T,Grey CP.Effects of atmospheric gases on Li metal cyclability and solid-electrolyte interphase formation.ACS Energy Lett2020;5:1088-94 PMCID:PMC7155172

[36] Haas R,Weiss M,Natan A.Understanding the transport of atmospheric gases in liquid electrolytes for lithium - air batteries.J Electrochem Soc2021;168:070504

[37] Zhang Y,Tang H.An ex-situ nitridation route to synthesize Li₃N-modified Li anodes for lithium secondary batteries.J Power Sources2015;277:304-11

[38] Ding F,Chen X.Effects of carbonate solvents and lithium salts on morphology and coulombic efficiency of lithium electrode.J Electrochem Soc2013;160:A1894-901

[39] Becking J,Kolek M.Lithium-metal foil surface modification: an effective method to improve the cycling performance of lithium-metal batteries.Adv Mater Interfaces2017;4:1700166

[40] Becke AD.Density-functional thermochemistry. III. The role of exact exchange.J Chem Phys1993;98:5648-52

[41] Krishnan R,Seeger R.Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions.J Chem Phys1980;72:650-4

[42] Mclean AD.Contracted gaussian basis sets for molecular calculations. I. second row atoms, Z = 11-18.J Chem Phys1980;72:5639-48

[43] Allouche R.Gabedit - a graphical user interface for computational chemistry softwares.J Comput Chem2010;32:174-82

[44] Curtiss LA,Raghavachari K.Gaussian-4 theory using reduced order perturbation theory.J Chem Phys2007;127:124105-13

[45] Frisch MJ,Schlegel HB. Gaussian 16. Wallingford CT; 2016. Available from: https://gaussian.com/ [Last accessed on 4 May 2023]

[46] Betz J,Nölle R.Cross talk between transition metal cathode and Li metal anode: unraveling its influence on the deposition/dissolution behavior and morphology of lithium.Adv Energy Mater2019;9:1900574

[47] Kühn SP,Winter M.Face to face at the cathode electrolyte interphase: from interface features to interphase formation and dynamics.Adv Mater Interfaces2022;9:2102078

[48] Bieker G,Bieker P.Electrochemical in situ investigations of SEI and dendrite formation on the lithium metal anode.Phys Chem Chem Phys2015;17:8670-9

[49] Wood KN,Dasgupta NP.Lithium metal anodes: toward an improved understanding of coupled morphological, electrochemical, and mechanical behavior.ACS Energy Lett2017;2:664-72

[50] Jung R,Haering D.Consumption of fluoroethylene carbonate (FEC) on Si-C composite electrodes for Li-ion batteries.J Electrochem Soc2016;163:A1705-16

[51] Stolz L,Winter M.Different efforts but similar insights in battery R&D: electrochemical impedance spectroscopy vs galvanostatic (constant current) technique.Chem Mater2022;34:10272-8

[52] Hobold GM,Guo R.Moving beyond 99.9% Coulombic efficiency for lithium anodes in liquid electrolytes.Nat Energy2021;6:951-60

[53] Ota H,Otake Y,Ue M.Structural and functional analysis of surface film on Li anode in vinylene carbonate-containing electrolyte.J Electrochem Soc2004;151:A1778

[54] Nie M,Young BT.Effect of vinylene carbonate and fluoroethylene carbonate on SEI formation on graphitic anodes in Li-ion batteries.J Electrochem Soc2015;162:A7008-14

[55] Grugeon S,Cailleu D.Towards a better understanding of vinylene carbonate derived SEI-layers by synthesis of reduction compounds.J Power Sources2019;427:77-84

[56] Freunberger SA,Peng Z.Reactions in the rechargeable lithium-O₂ battery with alkyl carbonate electrolytes.J Am Chem Soc2011;133:8040-7

[57] Bryantsev VS.Computational study of the mechanisms of superoxide-induced decomposition of organic carbonate-based electrolytes.J Phys Chem Lett2011;2:379-83

[58] Sinha A.The chemical structures of opposed flow diffusion flames of C3 oxygenated hydrocarbons (isopropanol, dimethoxy methane, and dimethyl carbonate) and their mixtures.Combust Flame2004;136:548-56

[59] Atkinson R.Atmospheric reactions of alkoxy and β-hydroxyalkoxy radicals.Int J Chem Kinet1997;29:99-111