XAFS Techniques for Catalysts, Nanomaterials, and Surfaces

545 Pages·2017·22.441 MB·English

by  Yasuhiro Iwasawa, Kiyotaka Asakura, Mizuki Tada (eds.)

Yasuhiro Iwasawa · Kiyotaka Asakura
Mizuki Tada Editors
XAFS
Techniques
for Catalysts,
Nanomaterials,
and Surfaces
XAFS Techniques for Catalysts, Nanomaterials,
and Surfaces
Yasuhiro Iwasawa (cid:129) Kiyotaka Asakura
Mizuki Tada
Editors
XAFS Techniques for
Catalysts, Nanomaterials,
and Surfaces
Editors
YasuhiroIwasawa KiyotakaAsakura
TheUniversityofElectro-Communications InstituteforCatalysis
InnovationResearchCenterforFuelCells HokkaidoUniversity
GraduateSchoolofInformaticsandEngineering Sapporo,Japan
Tokyo,Japan
Emeritus
TheUniversityofTokyo
Tokyo,Japan
MizukiTada
ResearchCenterforMaterialsScience
NagoyaUniversity
Nagoya,Japan
ISBN978-3-319-43864-1 ISBN978-3-319-43866-5 (eBook)
DOI10.1007/978-3-319-43866-5
LibraryofCongressControlNumber:2016952795
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Preface
This book contains 37 subjects and topics in 5 chapters based on recent develop-
ments in the XAFS approach to science and technology, describing the theories,
calculationmethods,computerprograms,advancedmethodologiesandtechniques,
experiments, and applications to catalysts, nanoparticles, and surfaces. The book
details advanced XAFS techniques and their applications, which enable high-
quality research in various areas such as physics, chemistry, materials science,
bioscience, engineering, energy science, environmental science, geoscience, met-
allurgy,andmineralogy.Fundamentalcharacterizationofcatalysts,nanomaterials,
andsurfacesisanessentialandimportantareaofacademicandindustrialmaterial
developmentandimportanttoaddressingmanyoftoday’sbigglobalchallenges.
The XAFS science and technology has significantly progressed in the past 50
years in association with developments of synchrotron radiation sources and stor-
age rings with lower beam emittance and higher brilliance. In this book we
concentrateonthedistinctprogress,advantage,andmeritoftheXAFStechniques
inconductingfundamentalandpracticalstudiesonavarietyofadvancedcatalysts,
nanomaterials, and surfaces with definite purposes and goals. We also describe
recentimportantissuesasexamplesandfutureprospects,whilealsoprovidingthe
basic theory, principle, and analysis of XAFS and a systematic presentation of
relevantdata.
Powerful, unique, and versatile, XAFS techniques have provided in situ
approaches under working/operando conditions for more realistic molecular-level
understanding of catalysis mechanisms and dynamic functions of nanomaterials
and surfaces. Recently, XAFS has developed by significant progress in real-time
and spatially imaging XAFS measurements. These techniques have provided new
pieces of information on real-time structural kinetics and dynamics by real-time
characterization and on two- and three-dimensional mapping and visualization of
catalyst layers, even a single nanoparticle, sensors, fuel cell electrode catalysts,
batteries, biological assemblies, and so on. XAFS analysis methodology has also
made progress in applications to more precise characterization of important
v
vi Preface
catalysts, nanomaterials, and surfaces, which cannot be obtained from other anal-
ysistechniques.
Thisbookiswrittenfornotonlystudentsandacademicresearchers,butalsofor
people involved in industrial research, in an effort to create synergy between
academia,researchinstitutions,andindustry.Thisbookisacomprehensive,theo-
retical, practical, and thorough guide to current XAFS spectroscopy and modern
applications involving social needs research. Assuming only undergraduate-level
physics, mathematics, and chemistry, the book is ideally suited for graduate stu-
dents, young scientists, and senior scientists in any disciplines including XAFS-
basedresearch.Thebookalsoprovidesguidancetoseniorundergraduatestudents
fortheirfutureresearchdirectionsandinterests.
We were happy to have excellent contributions of many world-class scientists
from the USA, the UK, Germany, France, Japan, Italy, the Netherlands, Switzer-
land,Norway,Brazil,andRussia,reflectingtherealinternationaldimensionofthe
book and broad interests and significance of XAFS-based researches. We are
pleased to sincerely thank all of them. We thank all Springer staff for continuous
encouragement, useful suggestions, and careful production throughout the XAFS
book project. We believe that this book can contribute toward present and future
fundamentalandpractical researchoftherelatedfieldsandwillsatisfy thewidest
rangeofresearchersandstudentsworkinginthedomainorrelatedtopics.
Tokyo,Japan YasuhiroIwasawa
Sapporo,Japan KiyotakaAsakura
Nagoya,Japan MizukiTada
Contents
PartI HistoryandProgressofX-rayAbsorptionFine
Structure(XAFS)
1 HistoryandProgressofX-RayAbsorption
FineStructure(XAFS). .. . . . .. . . . .. . . . .. . . . .. . . . .. . . .. . 3
YasuhiroIwasawa
PartII TheoryandAnalysisofXAFS
2 TheoryandAnalysisofXAFS. . . . . . . . . . . . . . . . . . . . . . . . . . . 13
JohnJ.Rehr,JoshuaJ.Kas,FernandoD.Vila,
andMatthewNewville
PartIII SourcesandMeasurementMethodsforXAFS
3 Synchrotron-RadiationSources,X-rayOptics
andBeamlines. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53
TomoyaUruga
4 XFEL. . .. . . . . . . . . .. . . . . . . . .. . . . . . . . . .. . . . . . . . . .. . . . 63
MakinaYabashiandTetsuoKatayama
5 MeasurementsandDetectors. . . . . . . . . . . . . . . . . . . . . . . . . . . . 67
MasaharuNomura
6 CellDesignsforInSituandOperandoStudies. . . . . . . . . . . . . . . 75
DmitryE.Doronkin,HenningLichtenberg,
andJan-DierkGrunwaldt
PartIV AdvancedXAFSTechniques
7 QuickXAFS. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93
TomoyaUruga
vii
viii Contents
8 EnergyDispersiveXAS. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109
SakuraPascarelliandOlivierMathon
9 PumpProbeXAFS. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127
ToshihikoYokoyamaandYoheiUemura
10 SpatiallyResolvedXAFS. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133
MizukiTadaandNozomuIshiguro
11 ComputedLaminographyXAFS. . . . . . . . . . . . . . . . . . . . . . . . . 149
MizukiTadaandHirosukeMatsui
12 X-RayAbsorptionwithTransmission
X-RayMicroscopes. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157
FrankdeGroot
13 OperandoEXAFSandXANESofCatalyticSolids
andRelatedMaterials. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 167
GarethT.Whiting,FlorianMeirer,andBertM.Weckhuysen
14 XAFSforUltraDiluteSystems. . . . . . . . . . . . . . . . . . . . . . . . . . 193
KiyotakaAsakura
15 ReflectionXAFS. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 207
Francescod’Acapito
16 High-EnergyResolutionXAS. . . . . . . . . . . . . . . . . . . . . . . . . . . 229
FrankdeGroot
17 NonresonantInelasticX-rayScattering
andX-rayRamanScattering. . . . . . . . . . . . . . . . . . . . . . . . . . . . 237
TimothyT.Fister
18 MolecularDynamicsSimulationsandXAFS(MD-XAFS). . . . . . 251
GregoryK.SchenterandJohnL.Fulton
PartV XAFSApplications
19 MetalNanocatalysts. . .. . . . . . . .. . . . . . .. . . . . . .. . . . . . .. . . 273
YuanyuanLiandAnatolyI.Frenkel
20 XASTechniquestoDetermineCatalytically
ActiveSitesinZeolites:TheCaseofCu-Zeolites. . . . . . . . . . . . . 299
JeroenA.vanBokhovenandCarloLamberti
21 DesignedSurfacesforActiveCatalysts. . . . . . . . . . . . . . . . . . . . 317
SatoshiMuratsugu,MizukiTada,andYasuhiroIwasawa
22 FuelCellsbyAdvancedXAFSTechniques. . . . . . . . . . . . . . . . . 335
MizukiTadaandYasuhiroIwasawa
Contents ix
23 SecondaryBatteries. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 351
ToshiakiOhta
24 Surfaces. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 365
HiroshiKondoh
25 Sensors. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 383
HudsonW.P.Carvalho,DavidDegler,
NicolaeBarsan,andJan-DierkGrunwaldt
26 ProbingStructureandReactivityofMetalCenters
inMetal–OrganicFrameworksbyXASTechniques. . . . . . . . . . 397
ElisaBorfecchia,LucaBraglia,FrancescaBonino,
SilviaBordiga,SigurdØien,UnniOlsbye,KarlPetterLillerud,
JeroenA.vanBokhoven,KirillA.Lomachenko,AlexanderA.Guda,
MikhailA.Soldatov,andCarloLamberti
27 HomogeneousCatalysis:FromMetalAtoms
toSmallClusters. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 431
JohnC.Linehan,MahalingamBalasubramanian,
andJohnL.Fulton
28 EnzymesandModels. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 451
JunkoYanoandVittalYachandra
29 GreenCatalysts. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 467
AdamF.Lee
30 EnvironmentalCatalysts. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 491
KazuhikoDohmae
31 Solid–LiquidInterfaces. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 505
TakuyaMasuda,ToshihiroKondo,andKoheiUosaki
32 Three-DimensionalStructuresonOxide
Single-CrystalSurfaces. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 527
KiyotakaAsakura
Index. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 539
Part I
History and Progress of X-ray
Absorption Fine Structure (XAFS)