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LITHIUM-SULFUR BATTERIES This page intentionally left blank LITHIUM-SULFUR BATTERIES Advances in High-Energy Density Batteries Edited by PRASHANT N. KUMTA Swanson School of Engineering,University of Pittsburgh, Pittsburgh, PA,UnitedStates ALOYSIUS F. HEPP Nanotech InnovationsLLC, Oberlin, OH, UnitedStates MONI K. DATTA Bioengineering Department, University of Pittsburgh, Pittsburgh, PA,UnitedStates OLEG I. VELIKOKHATNYI Bioengineering Department, University of Pittsburgh, Pittsburgh, PA,UnitedStates Elsevier Radarweg29,POBox211,1000AEAmsterdam,Netherlands TheBoulevard,LangfordLane,Kidlington,OxfordOX51GB,UnitedKingdom 50HampshireStreet,5thFloor,Cambridge,MA02139,UnitedStates Copyright©2022ElsevierInc.Allrightsreserved. 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Inusingsuchinformationormethodstheyshouldbemindfuloftheirownsafetyandthesafetyof others,includingpartiesforwhomtheyhaveaprofessionalresponsibility. Tothefullestextentofthelaw,neitherthePublishernortheauthors,contributors,oreditors,assume anyliabilityforanyinjuryand/ordamagetopersonsorpropertyasamatterofproductsliability, negligenceorotherwise,orfromanyuseoroperationofanymethods,products,instructions,or ideascontainedinthematerialherein. ISBN:978-0-12-819676-2 ForinformationonallElsevierpublications visitourwebsiteathttps://www.elsevier.com/books-and-journals Publisher:MatthewDeans AcquisitionsEditor:KaylaDosSantos EditorialProjectManager:EmilyJoyGraceThomson ProductionProjectManager:SojanP.Pazhayattil CoverDesigner:GregHarris TypesetbySTRAIVE,India Contents Contributors xi Preface xv Part I Technology background and novel materials 1. Introductionto the lithium-sulfursystem: Technology and electric vehicle applications 1 TobiasGlossmann,AbhiRaj,TeaPajan,andElizavetaBuch 1.1 Introductiontolithium-sulfurbattery 3 1.2 Electricvehiclebatteries 4 1.3 Earlylithium-sulfurbatteries 5 1.4 Lithium-ionandlithium-sulfurbatteries 5 1.5 Sulfur 6 1.6 Today'slithium-sulfurbatteries 7 1.7 Cathodes 8 1.8 Anodeandelectrolyte 9 1.9 Fundamentalchallenge:Lowcellvoltage 10 1.10 Goal:Commercializedbattery 12 References 12 2. Solid electrolytes for lithium-sulfurbatteries 17 EleniTemecheandRichardM.Laine 2.1 IntroductiontoLi-Sbatteries 18 2.2 Introductiontosolidelectrolytes 19 2.3 Briefhistoryofsolidelectrolytes 19 2.4 Introductiontoinorganicsolidelectrolytes 20 2.5 Li-Sbatteriesbasedonpolymerelectrolytes 39 2.6 Summary 43 Acknowledgments 44 References 45 3. Applications of metal-organicframeworksfor lithium-sulfur batteries 49 Fu-ShengKeandSi-ChengWan 3.1 Introduction 49 3.2 MOFsforlithium-sulfurbatteries 54 v vi Contents 3.3 Characterizationtechniques 92 3.4 Summaryandoutlook 104 Acknowledgments 107 References 108 Part II Modeling and characterization 4. Multiscale modeling of physicochemical interactions in lithium-sulfurbattery electrodes 123 ParthaP.Mukherjee,ZhixiaoLiu,FengHao,andBairavS.Vishnugopi 4.1 Introduction 123 4.2 ThegrowthofcrystallineLi Sfilmincathode 125 2 4.3 Parasiticreactionsinanode 144 4.4 Summaryandoutlook 152 Acknowledgment 154 References 154 5. Reliable HPLC-MS method for the quantitative and qualitativeanalyses of dissolved polysulfide ions during the operation of Li-S batteries 159 DongZheng,TianyaoDing,andDeyangQu 5.1 IntroductiontoHPLC-MS 159 5.2 Dissolvedpolysulfideionsandtheirbehaviorsinnonaqueous electrolytes 164 5.3 AdvantagesofHPLC-MSvs.otheranalyticaltechniques 166 5.4 One-stepderivatization,separation,anddeterminationof polysulfideions 171 5.5 Themechanismofsulfurredoxreactiondeterminedinsitu electrochemical-HPLCtechnique 175 5.6 Conclusions 194 References 195 6. Modelingof electrode,electrolyte, and interfaces of lithium-sulfur batteries 201 VenkatSrinivasanandAashutoshMistry 6.1 Introduction 202 6.2 Mathematicaldescriptionofporouselectrodeperformance 206 6.3 Evolutionofcathodeporouselectrodestructure 213 6.4 Concentratedelectrolytetransporteffects 218 6.5 Dynamicsofthepolysulfideshuttleeffect 221 Contents vii 6.6 Sourcesofvariability:Mechanismsandproperties 225 6.7 Summaryandoutlook 226 Acknowledgments 227 References 227 Part III Performance improvement 7. Recent progress in fundamental understanding of selenium-dopedsulfur cathodes during charging anddischarging with various electrolytes 235 ChenZhao,Gui-LiangXu,TianshouZhao,andKhalilAmine 7.1 Introduction 235 7.2 OverviewofSexSycathodecompositionandelectrochemistry 236 7.3 ProgressonLi-SexSybatterieswithliquidelectrolytes 238 7.4 All-solid-stateLi-SexSybatteries 253 7.5 Concludingremarksandfuturedesignstrategiesfor SexSy-basedbatterysystems 256 Acknowledgments 257 References 258 8. Suppression oflithiumdendrite growth in lithium-sulfurbatteries 261 XiaoLongXuandHaoWang 8.1 Introduction 261 8.2 Dendriticgrowthmechanism 263 8.3 EffectofLidendritegrowthonLi-Sbatteries 265 8.4 Suppressionmethod 266 8.5 Conclusions 287 References 289 9. The role of advanced host materials and bindersfor improving lithium-sulfurbattery performance 297 ShahidHussain,NaseemAkhtar,AwaisAhmad,MuhammadKhurramTufail, MuhammadKashifAslam,MuhammadSufyanJaved,andXiangzhaoZhang 9.1 Introductiontoenergysourcesandrechargeablebatteries 298 9.2 Complexenergystoragechallengesandsolutions 298 9.3 Hostmaterials 300 9.4 Binders 314 9.5 Conclusionsandfuturedirections 322 References 322 viii Contents Part IV Future directions: Solid-state materials and novel battery architectures 10. Future prospects for lithium-sulfurbatteries:The criticality of solid electrolytes 327 PatrickBonnickandJohnMuldoon 10.1 Theadvantagesoflithium-sulfurbatteries 327 10.2 Thechallengesofconventionalsulfurelectrodeswhen usedwithliquidelectrolytes 331 10.3 Lithiummetalelectrodesinlithium-sulfurbatteries 339 10.4 Pathforward 345 Dedication 346 References 347 11. New approaches to high-energy-density cathode andanode architectures for lithium-sulfurbatteries 353 MoniK.Datta,RamalingaKuruba,T.PrasadaRao,OlegI.Velikokhatnyi, andPrashantN.Kumta 11.1 Introduction 354 11.2 Novelconfinementarchitecturesforsulfurcathodes 359 11.3 Assemblyandtestingofpouchcells 366 11.4 Coincells:Preparationofhybridsolidelectrolyte-coatedbattery separators 373 11.5 Directlydepositedsulfurarchitectures 376 11.6 Computationalstudiestoidentifyfunctionalelectrocatalysts 393 11.7 Functionalelectrocatalystsandrelatedmaterialsforpolysulfide decomposition 399 11.8 Engineeringdendrite-freeanodesforLi-Sbatteries 421 11.9 Conclusions 435 Acknowledgments 436 References 436 12. Asolid-state approachto alithium-sulfurbattery 441 MuhammadKhurramTufail,SyedShoaibAhmadShah, ShahidHussain,TayyabaNajam,andMuhammadKashifAslam 12.1 Introduction 441 12.2 Solidelectrolytes 443 12.3 Polymer/ceramichybridcompositeelectrolytes 456 12.4 StableLimetalanodesforall-solid-stateLi-Sbatteries 458 12.5 Sulfur-basedcathodecompositesforall-solid-stateLi-Sbatteries 467 Contents ix 12.6 All-solid-statethin-filmbatteries 474 12.7 Conclusions 477 References 478 Part V Applications: System-level issues and challenging environments 13. State estimation methodologies for lithium-sulfurbattery management systems 491 FatenAyadi,DanielJ.Auger,AbbasFotouhi,andNedaShateri 13.1 Introduction 491 13.2 Lithium-sulfurbatterymodels 493 13.3 Li-SBMS:Stateestimationmethods 497 13.4 Performanceofstateestimationmethods 507 13.5 Conclusionsandoutlook 525 Acknowledgments 527 References 527 14. Batteriesfor aeronautics andspace exploration: Recent developmentsand future prospects 531 AloysiusF.Hepp,PrashantN.Kumta,OlegI.Velikokhatnyi, andMoniK.Datta 14.1 Introduction 532 14.2 Energystoragefor(solar-)electricaircraftandhigh-altitude airships 533 14.3 Overviewofenergystorageforspaceexploration 552 14.4 RecentNASAmissionstoMercury,Mars,andsmallbodies 553 14.5 RadiationissuesandexplorationmissionstotheJupiterregion 565 14.6 Nextgeneration(s)ofbatterytechnologiesforspaceexploration 572 14.7 Conclusions 581 References 584 Index 597