Nanomaterials for direct alcohol fuel cell

298 Pages·2017·17.75 MB·English

by  Wang

Nanomaterials
for Direct Alcohol
Fuel Cell

Pan Stanford Series on Renewable Energy — Volume 2
Nanomaterials
for Direct Alcohol
Fuel Cell
editors
Preben Maegaard
Anna Krenz edited by
Wolfgang Palz
Yixuan Wang
The Rise of Modern Wind Energy
Wind Power

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November3,2016 15:2 PSPBook-9inx6in 00-Yixuan-Wang-Prelims
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ISBN978-981-4669-00-9(Hardcover)
ISBN978-981-4669-01-6(eBook)
PrintedintheUSA
November3,2016 15:2 PSPBook-9inx6in 00-Yixuan-Wang-Prelims
Contents
Preface xi
1 AdvancedAnodeCatalystsforDirectAlcoholFuelCells 1
YoujunFan,JunmingZhang,QingyuLi,andJiujunZhang
1.1 Introduction 2
1.2 Pt-BasedCatalysts 3
1.2.1 AlloyCatalysts 3
1.2.2 Oxide-DopedPtCatalysts 7
1.3 Non-PtCatalysts 8
1.3.1 Pd-BasedCatalysts 8
1.3.2 OtherNon-nobleMetalCatalysts 10
1.4 SupportMaterialsforCatalysts 13
1.4.1 NanostructuredCarbon 15
1.4.1.1 Carbonnanotubes 17
1.4.1.2 Carbonnanofiber 21
1.4.1.3 Mesoporouscarbon 24
1.4.1.4 Graphene 26
1.4.2 ConductingPolymers 29
1.4.3 HybridSupports 31

1.5 ControlofCatalystSurfaceStructures 35
1.6 FundamentalUnderstandingofCatalysticforNew
CatalystDesign 40
1.7 ChallengesandPossibleResearchDirections 41
1.8 Summary 42
2 MultimetallicNanocatalystsforAnodicReactioninDirect
AlcoholFuelCell 63
JayatiDatta
2.1 Introduction 64
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vi Contents
2.2 Low-TemperatureFuelCells 65
2.3 FuelFlexibility 65
2.4 SelectionofFuelsforDirectAlcoholFuelCell 67
2.5 Ethanol:AGreenFuel 67
2.6 SelectionofElectrocatalystMaterialsforOxidationof
Alcohols 68
2.7 BinarySystemsStudiedforDAFC 70
2.8 Catalyst–SupportInteraction 70
2.9 SynthesisofNanoparticles 71
2.9.1 ChemicalRoute 71
2.9.2 Electrosynthesis 73
2.10CatalystsforDEFC:AGreenTechnology 76
2.10.1NanomaterialsSpeciallyFocusedonEOR
Studies:InfluenceofAdatoms 76
2.10.2TernaryNanocatalystsinAcidicMedium 84
2.10.3MultimetallicNanocatalystsforAlkaline
DEFC 86
2.10.4Pt-FreeCombinatorialApproach 90
2.11Conclusion 98
3 UnderstandingElectrocatalyticActivityEnhancementof
BimetallicNanoparticlestoEthanolElectro-oxidation
Reaction 107
YixuanWangandZhenfengXu
3.1 Introduction 108
3.2 TheoreticalMethodologyandBimetallicModels 110
3.3 AdsorptionandDecompositionofH O 112
2
3.3.1 H OAdsorptionoverPt MClusters(6and9;
2 n
M=Pt,Sn,Ru,Cu,Rh,Pd,andRe) 112
3.3.2 DecompositionofAdsorbedWater 115
3.4 AdsorptionandDecompositionofEthanol 121
3.4.1 CH CH OHAdsorptionandDecomposition
3 2
overPt MClusters(M=Pt,Ru,andSn) 121
6
3.4.2 CH CH OHAdsorptionandDecomposition
3 2
overPt MClusters(M=Pt,Sn,andRu) 130
9
3.4.3 KineticsofAdsorptionandDecompositionof
CH CH OH 131
3 2
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Contents vii
3.5 AlloyingEffectontheAdsorptionEnergy,Energy
Barrier,andDissociationEnergy 134
3.6 Conclusion 138
4 TheoreticalAspectsofGoldNanocatalystforEthanoland
GlucoseOxidation 145
TakayoshiIshimotoandMichihisaKoyama
4.1 GeneralIntroduction 146
4.2 ComputationalDetails 147
4.3 AuSurfaceStructureinAlkalineSolution 147
4.3.1 Introduction 147
4.3.2 H OandOH−AdsorptionEnergyonAu 148
2
4.3.3 AdsorptionSpeciesonAuSurfaceinAlkaline
Solution 149
4.3.4 Summary 152
4.4 OxidationReactionofEthanolonAuCatalyst 153
4.4.1 Introduction 153
4.4.2 ReactionofEthanoloverAuCatalyst 153
4.4.3 Summary 155
4.5 OxidationReactionofGlucoseonAuCatalyst 156
4.5.1 Introduction 156
4.5.2 ReactionofGlucose 156
4.5.3 EffectofAdsorbateSpeciesonAuSurface 159
4.5.4 Summary 161
4.6 EffectofSupportMaterialsforAuCatalyst 162
4.6.1 Introduction 162
4.6.2 InteractionbetweenSupportMaterialsandAu
Catalyst 163
4.6.3 GlucoseOxidationReactiononSupportedAu
Catalyst 165
4.6.4 Summary 168
4.7 SummaryandPerspectives 168
5 ProtonTransportandDesignofProtonElectrolyte
MembranesforDirectAlcoholFuelCells 177
LiumingYanandBaohuaYue
5.1 Introduction 178
5.2 TypesofPEMs 179
November3,2016 15:2 PSPBook-9inx6in 00-Yixuan-Wang-Prelims
viii Contents
5.3 TheoreticalandExperimentalMethodforDesignof
ProtonConductingMaterials 180
5.3.1 DesignofProtonConductingMaterials 180
5.3.2 TransportMechanisms 182
5.3.3 AbinitioCalculations 183
5.3.4 MolecularDynamicsSimulations 184
5.3.5 NMRTechniques 185
5.3.5.1 H-bondingandprotontransport 186
5.3.5.2 Diffusioncoefficients 188
5.3.6 Proof-of-ConceptExperiments 189
5.4 AnExample 189
5.4.1 ModelMolecules 190
5.4.2 DFTCalculationMethod 190
5.4.3 DFTCalculationResults 192
5.4.4 MDSimulations 194
5.4.5 1HNMRExperiments 198
5.4.6 Proof-of-ConceptExperiments 204
5.5 Summary 204
6 NanomaterialsforOxygenReductionReaction(ORR) 215
R.K.Singh,F.G.S.Wasim,andM.Neergat
6.1 Introduction 216
6.2 MethodologyandDescriptorofActivity 217
6.2.1 CalculationoftheESAofPt/CinAcidicMedia 219
6.3 ReactionMechanismandThermodynamics 219
6.3.1 PathwaysinAcidicMedium 219
6.3.2 DetectionofPeroxide 220
6.3.3 ElectrochemicalImpedanceSpectroscopy(EIS) 221
6.4 FuelCellandSingle-Electrode(RDE)Polarizations 223
6.4.1 Calculationof(cid:2)G◦andE◦ 223
6.5 RecentDevelopmentsinNanomaterialsforORR 225
6.5.1 PreciousMetalCatalysts 225
6.5.2 Core–Shell(CS)Structure 228
6.5.3 Shape-ControlledNanoparticles 230
6.5.4 Pd-BasedAlloyCatalysts 235
6.5.5 Non-preciousMetalElectrocatalysts(NPMCs) 236
6.6 Conclusions 239
November3,2016 15:2 PSPBook-9inx6in 00-Yixuan-Wang-Prelims
Contents ix
7 AdvancesinUnderstandingtheEffectsontheEthanol
Electro-oxidationReaction 253
YixuanWang
7.1 Introduction 254
7.2 PtSn,PtSnO ,andPt-BasedBi-andTrimetallic
2
PtM M (M =Sn,Ru;M =Ni,Rh,Bi,andPd)in
1 2 1 2
AcidicMedia 255
7.3 EffectofAlloyingDegreeandSizeofPtSnonthe
CatalyticBehaviorfortheEER 257
7.4 Electro-oxidationofEthanolonPtSn/CDopedby
MetalOxides(CeO ,TiO )Electrocatalysts 258
2 2
7.5 ElectrocatalyticActivityEnhancementMechanismof
PtSntotheEERinAcidicSolution 259
7.6 EffectsofpHandCompositionofElectrolyteonthe
Activity 261
7.7 UnexpectedActivityofGold(Au)totheEERin
AlkalineMedia 263
7.8 ExtremelyHighElectrocatalyticActivityofPt/Au
StructuretotheEERinAlkalineMedia 265
7.9 Graphene,DefectiveGraphene,andOtherNovel
NanomaterialsfortheEER 266
Index 277