HIGH ENERGY DENSITY METAL-AIR BATTERIES.

422 Pages·2018·15.792 MB·English

by  ZHANG, XIN-BO

Metal–AirBatteries
Metal–Air Batteries
FundamentalsandApplications
EditedbyXin-boZhang
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v
Contents
Preface xiii
1 IntroductiontoMetal–AirBatteries:TheoryandBasic
Principles 1
ZhiwenChangandXin-boZhang
1.1 Li–O Battery 1
2
1.2 Sodium–O Battery 5
2
References 7
2 StabilizationofLithium-MetalAnodeinRechargeable
Lithium–AirBatteries 11
BinLiu,WuXu,andJi-GuangZhang
2.1 Introduction 11
2.2 RecentProgressesinLiMetalProtectionforLi–O Batteries 13
2
2.2.1 DesignofCompositeProtectiveLayers 13
2.2.2 NewInsightsontheUseofElectrolyte 18
2.2.3 FunctionalSeparators 25
2.2.4 Solid-StateElectrolytes 29
2.2.5 AlternativeAnodes 30
2.3 ChallengesandPerspectives 30
Acknowledgment 32
References 32
3 Li–AirBatteries:DischargeProducts 41
XuanxuanBi,RongyueWang,andJunLu
3.1 Introduction 41
3.2 DischargeProductsinAproticLi–O Batteries 43
2
3.2.1 Peroxide-basedLi–O Batteries 43
2
3.2.1.1 ElectrochemicalReactions 43
3.2.1.2 CrystallineandElectronicBandStructureofLi O 44
2 2
3.2.1.3 ReactionMechanismandtheCoexistenceofLi O andLiO 47
2 2 2
3.2.2 Superoxide-basedLi–O Batteries 52
2
3.2.3 ProblemsandChallengesinAproticLi–O Batteries 54
2
3.2.3.1 DecompositionoftheElectrolyte 54
vi Contents
3.2.3.2 DegradationoftheCarbonCathode 55
3.3 DischargeProductsinLi–AirBatteries 56
3.3.1 ChallengestoExchangingO toAir 56
2
3.3.2 EffectofWateronDischargeProducts 56
3.3.2.1 EffectofSmallAmountofWater 56
3.3.2.2 AqueousLi–O Batteries 57
2
3.3.3 EffectofCO onDischargeProducts 59
2
3.3.4 CurrentLi–AirBatteriesandPerspectives 60
Acknowledgment 61
References 61
4 ElectrolytesforLi–O Batteries 65
2
AlexR.Neale,PeterGoodrich,ChristopherHardacre,andJohanJacquemin
4.1 GeneralLi–O BatteryElectrolyteRequirementsand
2
Considerations 65
4.1.1 ElectrolyteSalts 69
4.1.2 EthersandGlymes 73
4.1.3 DimethylSulfoxide(DMSO)andSulfones 76
4.1.4 Nitriles 78
4.1.5 Amides 79
4.1.6 IonicLiquids 80
4.1.7 Solid-StateElectrolytes 86
4.2 FutureOutlook 87
References 87
5 Li–OxygenBattery:ParasiticReactions 95
XiahuiYao,QiDong,QingmeiCheng,andDunweiWang
5.1 TheDesiredandParasiticChemicalReactionsforLi–Oxygen
Batteries 95
5.2 ParasiticReactionsoftheElectrolyte 96
5.2.1 NucleophilicAttack 97
5.2.2 AutoxidationReaction 99
5.2.3 Acid–BaseReaction 100
5.2.4 Proton-mediatedParasiticReaction 100
5.2.5 AdditionalParasiticChemicalReactionsoftheElectrolyte:Reduction
Reaction 102
5.3 ParasiticReactionsattheCathode 102
5.3.1 TheCorrosionofCarbonintheDischargeProcess 104
5.3.2 TheCorrosionofCarbonintheRechargeProcess 106
5.3.3 Catalyst-inducedParasiticChemicalReactions 106
5.3.4 AlternativeCathodeMaterialsandCorrespondingParasitic
Chemistries 110
5.3.5 AdditivesandBinders 111
5.3.6 Contaminations 111
5.4 ParasiticReactionsontheAnode 112
5.4.1 CorrosionoftheLiMetal 114
5.4.2 SEIintheOxygenatedAtmosphere 114
Contents vii
5.4.3 AlternativeAnodesandAssociatedParasiticChemistries 115
5.5 NewOpportunitiesfromtheParasiticReactions 116
5.6 SummaryandOutlook 117
References 118
6 Li–AirBattery:Electrocatalysts 125
ZhiwenChangandXin-boZhang
6.1 Introduction 125
6.2 TypesofElectrocatalyst 126
6.2.1 CarbonaceousMaterials 126
6.2.1.1 CommercialCarbonPowders 126
6.2.1.2 CarbonNanotubes(CNTs) 126
6.2.1.3 Graphene 127
6.2.1.4 DopedCarbonaceousMaterial 128
6.2.2 NobleMetalandMetalOxides 129
6.2.3 TransitionMetalOxides 130
6.2.3.1 PerovskiteCatalyst 131
6.2.3.2 RedoxMediator 133
6.3 ResearchofCatalyst 135
6.4 ReactionMechanism 138
6.5 Summary 141
References 142
7 Lithium–AirBatteryMediator 151
ZhuojianLiang,GuangtaoCong,YuWang,andYi-ChunLu
7.1 RedoxMediatorsinLithiumBatteries 151
7.1.1 RedoxMediatorsinLi–AirBatteries 151
7.1.2 RedoxMediatorsinLi-ionandLithium-flowBatteries 153
7.1.2.1 OverchargeProtectioninLi-ionBatteries 153
7.1.2.2 RedoxTargetingReactionsinLithium-flowBatteries 154
7.2 SelectionCriteriaandEvaluationofRedoxMediatorsforLi–O
2
Batteries 156
7.2.1 RedoxPotential 156
7.2.2 Stability 157
7.2.3 ReactionKineticsandMassTransportProperties 161
7.2.4 CatalyticShuttlevsParasiticShuttle 163
7.3 ChargeMediators 166
7.3.1 LiI(LithiumIodide) 170
7.3.2 LiBr(LithiumBromide) 172
7.3.3 Nitroxides:TEMPO(2,2,6,6-Tetramethylpiperidinyloxyl)and
Others 176
7.3.4 TTF(Tetrathiafulvalene) 180
7.3.5 Tris[4-(diethylamino)phenyl]amine(TDPA) 182
7.3.6 ComparisonoftheReportedChargeMediators 183
7.4 DischargeMediator 186
7.4.1 IronPhthalocyanine(FePc) 190
7.4.2 2,5-Di-tert-butyl-1,4-benzoquinone(DBBQ) 192
viii Contents
7.5 ConclusionandPerspective 194
References 195
8 SpatiotemporalOperandoX-rayDiffractionStudyonLi–Air
Battery 207
Di-JiaLiuandJiang-LanShui
8.1 MicrofocusedX-rayDiffraction(μ-XRD)andLi–O CellExperimental
2
Setup 207
8.2 StudyonAnode:LimitedReversibilityofLithiuminRechargeable
LAB 209
8.3 StudyonSeparator:ImpactofPrecipitatestoLABPerformance 217
8.4 StudyonCathode:SpatiotemporalGrowthofLi O DuringRedox
2 2
Reaction 222
References 230
9 Metal–AirBattery:InSituSpectroelectrochemical
Techniques 233
IainM.Aldous,LaurenceJ.Hardwick,RichardJ.Nichols,and
J.PadmanabhanVivek
9.1 RamanSpectroscopy 233
9.1.1 InSituRamanSpectroscopyforMetal–O Batteries 233
2
9.1.2 BackgroundTheory 233
9.1.3 PracticalConsiderations 235
9.1.3.1 ElectrochemicalRoughening 235
9.1.3.2 AddressingInhomogeneousSERSEnhancement 237
9.1.4 InSituRamanSetup 238
9.1.5 DeterminationofOxygenReductionandEvolutionReaction
MechanismsWithinMetal–O Batteries 239
2
9.2 InfraredSpectroscopy 247
9.2.1 Background 247
9.2.2 IRStudiesofElectrochemicalInterfaces 247
9.2.3 InfraredSpectroscopyforMetal–O BatteryStudies 249
2
9.3 UV/VisibleSpectroscopicStudies 253
9.3.1 UV/VisSpectroscopy 254
9.3.2 UV/VisSpectroscopyforMetal–O BatteryStudies 255
2
9.4 ElectronSpinResonance 257
9.4.1 CellSetup 259
9.4.2 DeploymentofElectrochemicalESRinBatteryResearch 259
9.5 SummaryandOutlook 262
References 262
10 Zn–AirBatteries 265
TongwenYu,RuiCai,andZhongweiChen
10.1 Introduction 265
10.2 ZincElectrode 266
10.3 Electrolyte 268
Contents ix
10.4 Separator 270
10.5 AirElectrode 271
10.5.1 StructureofAirElectrode 271
10.5.2 OxygenReductionReaction 271
10.5.3 OxygenEvolutionReaction 272
10.5.4 Electrocatalyst 273
10.5.4.1 NobleMetalsandAlloys 274
10.5.4.2 TransitionMetalOxides 275
10.5.4.3 Inorganic–OrganicHybridMaterials 278
10.5.4.4 Metal-freeMaterials 282
10.6 ConclusionsandOutlook 288
References 288
11 ExperimentalandComputationalInvestigationofNonaqueous
Mg/O Batteries 293
2
JeffreyG.Smith,GülinVardar,CharlesW.Monroe,andDonaldJ.Siegel
11.1 Introduction 293
11.2 ExperimentalStudiesofMagnesium/AirBatteriesand
Electrolytes 295
11.2.1 IonicLiquidsasCandidateElectrolytesforMg/O Batteries 295
2
11.2.2 ModifiedGrignardElectrolytesforMg/O Batteries 299
2
11.2.3 All-inorganicElectrolytesforMg/O Batteries 303
2
11.2.4 ElectrochemicalImpedanceSpectroscopy 307
11.3 ComputationalStudiesofMg/O Batteries 310
2
11.3.1 CalculationofThermodynamicOverpotentials 310
11.3.2 ChargeTransportinMg/O DischargeProducts 315
2
11.4 ConcludingRemarks 320
References 321
12 NovelMethodologiestoModelChargeTransportinMetal–Air
Batteries 331
NicolaiRaskMathiesen,MarkoMelander,MikaelKuisma,Pablo
García-Fernández,andJuanMariaGarcíaLastra
12.1 Introduction 331
12.2 ModelingElectrochemicalSystemswithGPAW 333
12.2.1 DensityFunctionalTheory 333
12.2.2 ConductivityfromDFTData 335
12.2.3 TheGPAWCode 337
12.2.4 ChargeTransferRateswithConstrainedDFT 338
12.2.4.1 MarcusTheoryofChargeTransfer 338
12.2.4.2 ConstrainedDFT 339
12.2.4.3 PolaronicChargeTransportattheCathode 341
12.2.5 ElectrochemistryatSolid–LiquidInterfaces 342
12.2.5.1 ModelingtheElectrochemicalInterface 342
12.2.5.2 ImplicitSolvationattheElectrochemicalInterface 343
12.2.5.3 GeneralizedPoisson–BoltzmannEquationfortheElectricDouble
Layer 344
x Contents
12.2.5.4 ElectrodePotentialWithinthePoisson–BoltzmannModel 345
12.2.6 CalculationsatConstantElectrodePotential 346
12.2.6.1 TheNeedforaConstantPotentialPresentation 346
12.2.6.2 GrandCanonicalEnsembleforElectrons 347
12.2.6.3 FictitiousChargeDynamics 349
12.2.6.4 ModelinPractice 350
12.2.7 Conclusions 351
12.3 SecondPrinciplesforMaterialModeling 351
12.3.1 TheEnergyinSP-DFT 352
12.3.2 TheLatticeTerm(E(0)) 353
12.3.3 ElectronicDegreesofFreedom 354
12.3.4 ModelConstruction 357
12.3.5 PerspectivesonSP-DFT 358
Acknowledgments 359
References 359
13 FlexibleMetal–AirBatteries 367
HuishengPeng,YifanXu,JianPan,YangZhao,LieWang,andXiangShi
13.1 Introduction 367
13.2 FlexibleElectrolytes 368
13.2.1 AqueousElectrolytes 368
13.2.1.1 PAA-basedGelPolymerElectrolyte 369
13.2.1.2 PEO-basedGelPolymerElectrolyte 369
13.2.1.3 PVA-basedGelPolymerElectrolyte 371
13.2.2 NonaqueousElectrolytes 373
13.2.2.1 PEO-basedPolymerElectrolyte 373
13.2.2.2 PVDF-HFP-basedPolymerElectrolyte 377
13.2.2.3 IonicLiquidElectrolyte 377
13.3 FlexibleAnodes 378
13.4 FlexibleCathodes 381
13.4.1 ModifiedStainlessSteelMesh 381
13.4.2 ModifiedCarbonTextile 382
13.4.3 CarbonNanotube 384
13.4.4 Graphene-basedCathode 385
13.4.5 OtherCompositeElectrode 386
13.5 PrototypeDevices 386
13.5.1 SandwichStructure 387
13.5.2 FiberStructure 390
13.6 Summary 394
References 394
14 PerspectivesontheDevelopmentofMetal–AirBatteries 397
ZhiwenChangandXin-boZhang
14.1 Li–O Battery 397
2
14.1.1 LithiumAnode 397
14.1.2 Electrolyte 398
14.1.3 Cathode 398
Contents xi
14.1.4 TheReactionMechanisms 399
14.1.5 TheDevelopmentofSolid-stateLi–O Battery 399
2
14.1.6 TheDevelopmentofFlexibleLi–O Battery 400
2
14.2 Na–O Battery 401
2
14.3 Zn–airBattery 402
References 403
Index 407