XAFS for everyone:
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| Main Author: | |
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| Other Authors: | |
| Format: | Book |
| Language: | English |
| Published: |
Boca Raton
CRC Press, Taylor & Francis Group
[2013]
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| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | XXVI, 427 Seiten Illustrationen, Diagramme 28 cm |
| ISBN: | 9781439878637 |
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MARC
| LEADER | 00000nam a2200000 c 4500 | ||
|---|---|---|---|
| 001 | BV041547520 | ||
| 003 | DE-604 | ||
| 005 | 20191104 | ||
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| 008 | 140108s2013 a||| |||| 00||| eng d | ||
| 010 | |a 2012047807 | ||
| 020 | |a 9781439878637 |c Broschur |9 978-1-439-87863-7 | ||
| 035 | |a (OCoLC)915373146 | ||
| 035 | |a (DE-599)GBV732502969 | ||
| 040 | |a DE-604 |b ger |e aacr | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-11 |a DE-703 |a DE-188 |a DE-29 | ||
| 050 | 0 | |a QC482.S6 | |
| 082 | 0 | |a 543/.62 | |
| 084 | |a UP 9310 |0 (DE-625)146458: |2 rvk | ||
| 084 | |a VG 9900 |0 (DE-625)147245:253 |2 rvk | ||
| 100 | 1 | |a Calvin, Scott |e Verfasser |0 (DE-588)1037119193 |4 aut | |
| 245 | 1 | 0 | |a XAFS for everyone |c Scott Calvin ; illustrated by Kirin Emlet Furst |
| 264 | 1 | |a Boca Raton |b CRC Press, Taylor & Francis Group |c [2013] | |
| 300 | |a XXVI, 427 Seiten |b Illustrationen, Diagramme |c 28 cm | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 500 | |a Includes bibliographical references and index | ||
| 650 | 0 | 7 | |a Röntgenabsorptionsfeinstruktur |0 (DE-588)4178302-5 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Röntgenabsorptionsspektroskopie |0 (DE-588)4178303-7 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Röntgenabsorptionsspektroskopie |0 (DE-588)4178303-7 |D s |
| 689 | 0 | |5 DE-604 | |
| 689 | 1 | 0 | |a Röntgenabsorptionsfeinstruktur |0 (DE-588)4178302-5 |D s |
| 689 | 1 | |5 DE-604 | |
| 700 | 1 | |a Furst, Kirin Emlet |4 ill | |
| 856 | 4 | 2 | |m HBZ Datenaustausch |q application/pdf |u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026993337&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-026993337 | ||
Record in the Search Index
| _version_ | 1804151654058033152 |
|---|---|
| adam_text | Titel: XAFS for everyone
Autor: Calvin, Scott
Jahr: 2013
Cont
Preface xv 1.4 Data Reduction 18
. . . 1.4.1 From Raw Data to x(k) 18
Autnor XIX 1.4.2 Fourier Transform 20
About the Panel xxi 1-5 XAFS Is Not a Black Box 23
1.6 Overview of Approaches to XAFS
Introduction xxm Analysjs 24
1.6.1 Fingerprinting 24
PART I - THE XAFS EXPERIMENT ff-f Linear Combination Analysis 25
1.6.3 Principal Component
Analysis 25
1 XAFS in a Nutshell 3 1.6.4 Curve Fitting to a
1.1 X-Ray Absorption Spectra 4 Theoretical Standard 27
1.1.1 X-Ray Absorption References 29
1.1.2 SS3 5 2 Planning the Experiment 31
1.1.3 Edge 5 2-l Identifying Your Questions 32
1.1.4 X-Ray Absorption Near-Edge 2-2 Synchrotron Light Sources 32
Structure 5 2-3 Bending Magnets and Insertion
1.1.5 Extended X-Ray Absorption Devices 35
Fine Structure 5 2-3-1 Brilliance 35
1.2 Basics of EXAFS Theory 5 2-5-2 Wigglers 36
J.2.J Fermi s Golden Rule 5 2-5-5 Undulators 37
2.2.2 EXAFS IsDueto 2A Monochromators (and
Interference of an Electron Polychromators) 38
w/tf) /tee/f 6 2-5 Measurement Modes and Detectors 39
2.2.3 Relationshipofkto Photon 2-5J Measurement Modes 39
Fnergy 8 2.5.2 Ex Situ, In Situ, and
1.2.4 EXAFS and Structure 8 Operando 40
1.2.5 Scattering Probability 8 2-5-3 Ion Chambers 40
1.2.6 Multiple Neighbors 9 2-5-4 Energy-Discrimmating
1.2.7 Multiple Scattering 10 Fluorescence Detectors 41
2.2.8 Phase Shifts 10 2-5-5 Current-Mode
1.2.9 Spherical Waves 11 Semiconductor Detectors 41
2^20 Incomplete Overlap 12 2-5-6 Other Detectors 41
2.2.22 Mea/7 Free Fferf/7 12 z5-7 f/ecfron V7e/cf 41
2.2.22 EXAFS Is an Average 13 2-5-5 Beamline Equipment 42
2.2.23 EnoughforNow 15 ^.5.9 Simultaneous Probes 42
2.3 Some Terminology 15 2-5J0 Microprobe 42
2.3.2 Edge 15 ^-^ Experimental Design 42
j 3 2 XANES 16 ^ Getting Beamtime 43
2.a3 A/fJMFS 16 References 45
2.3.4 FJMFS 16
2.3.5 White Line 16 3 Sample Preparation 47
2.3.6 Pre-Edge 17 3.2 XAFS Samples 48
2.3.7 E0 17 3.2 Absorption 48
vii
viii Contents
3.2.1 Undesirable Photons 48 3.6 Which Technique Should You Choose? 72
3.2.2 The Absorption Coefficient 49 3.7 Preparing Samples 72
3.3 Sample Characteristics for 3.7.1 Powder 73
Transmission 51 3.7.1.1 Fi Hers 73
3.3.1 Thickness, Mass, and 3.7.1.2 Procedure for
Absorption Lengths 51 Sedimentation 74
3.3.2 Uni form ity 52 3.7.1.3 Procedure for
3.3.3 A Short Digression on Noise 54 Spreading on Tape 75
3.3.4 Optimum Thickness for 3.7.1.4 Powders without All
Transmission 55 That Tape: Pressing
3.3.5 Edge Jump 57 intoa Pellet 11
3.4 Sample Characteristics for 3.7.1.5 Air-Sensitive
Fluorescence 61 Powders 11
3.4.1 From Incidence to Detection 61 3.7.2 Thin Films 79
3.4.1.1 Lim Hing Case: 3.7.3 Solid Metals 79
Thin and 3.7.4 Solutions and Liquids 80
Concentrated 63 3.7.5 Gases 80
3.4.1.2 Limiting Case: 3.7.6 Environmental 81
Thin and Dilute 63 3.7.7 In Situ and Operando 81
3.4.1.3 Limiting Case: References 83
Thick and
Concentrated 64 4 °ata Reduction 85
3.4.1.4 Limiting Case: 4.1 Preprocessing 86
Thick and Dilute 64 4.1.1 Rebinning 86
3.4.2 Understanding Your Sample 65 4.1.2 Selecting Channels and Scans 86
3.4.2.2 A Thin Film on a 4.1.3 Calculating Unnormalized
Thick Substrate, Absorption 87
Such as Some 4.1.4 Truncation 87
Common Solar 4.2 Calibration and Alignment 87
Cell Designs 66 4.2.1 Aligning Reference Scans 87
3.4.2.2 A Heterogenous 4.2.2 Merging 88
So/7 Sample with 4.2.3 Calibrating 90
the Element 4.3 Finding Normalized Absorption 91
of Interest 4.3.1 Deadtime Correction 91
Concentrated in 4.3.2 Deglitching 91
Grains Sparsely 4.3.3 ChoosingE0 91
Scattered through 4.3.4 Normalization 92
the Material 66 4.3.5 Seif-Absorption Correction 99
3.4.2.3 A Material in 4.4 Finding x(k)
So/uf/o/7 66 4.4.1 Background Subtraction 99
3.4.2.4 AGas 66 4.4.2 x(E)
103
3.4.3 The Mathematics of 4.4.3 Converting from E to k 104
Self-Absorption 67 4.4.4 /l Seconc/ Cnance af
3.4.4 Geometrical Factors 68 Self-Absorption Correction 104
3.4.5 How Thick Is Thick ? 70 4.4.5 WeightingxM l0A
3.4.6 How Concentrated Is 4.5 Finding the Fourier Transform 104
Concentrated ? 71 4.5.2 About Fourier Transforms 104
3.5 Sample Considerations for Electron 4.5.2 Data Ranges Are Finite 105
Yield Experiments 71 4.5.3 H//ndows -111
Contents ix
4.5.4 ZeroPadding 112 5.8.3 Time-Resolved Studies 163
4.5.5 Choice of Windows 113 5.8.4 Making the Most of Your
4.5.6 Fourier Transforms Are Beamtime 164
Complex 115 5.9 What s That? 164
4.5.7 Corrected Fourier 5.9.1 Noise 164
Transforms 119 5.9.1.1 Cause 164
4.5.8 Back-Transforms 120 5.9.1.2 Identification 164
References 123 5.9.2.3 Effect on Analysis 164
5.9.2.4 Prevention 165
5 Data Collection 125 5.9.2.5 Mitigation 165
5.2 Noise, Distortion, and Time 126 5.9.1.6 Silver Lining 165
5.2 Detector Choice 127 5.9.2 Monochromator Glitches 165
5.2.2 Predicting Signal-to-Noise 5.9.2.1 Cause 165
Faf/o /n Transmission 127 5.9.2.2 Identification 165
5.2.2 Signal-to-Noise Ratio in 5.9.2.3 Effect on Analysis 166
Fluorescence 131 5.9.2.4 Prevention 166
5.2.2.2 Very Thin Samples 131 5.9.2.5 Mitigation 166
5.2.2.2 Very Thick Samples 132 5.9.2.6 Silver Lining 166
5.2.2.3 Dilute Samples 132 5.9.3 Other Edges 166
5.2.3 Energy-Discriminating 5.9.3.1 Cause 166
Fluorescence Detectors 133 5.9.3.2 Identification 166
5.3 ße/bre Vou ßeg/n 134 5.9.3.3 fiffecf on Analysis 167
5.3.2 P/an Vour Beamtime 134 5.9.3.4 Prevention 167
5.3.2 Get to Know Your Beamline 135 5.9.3.5 Mitigation 167
5.4 Optimizing the Beam 136 5.9.3.6 Silver Lining 167
5.4.2 Aligning the Beam 136 5.9.4 Other EXAFS 167
5.4.2 Choosing Pre- 0 Vertical 5.9.4.1 Cause 167
S// f IM ctfn 136 5.9.4.2 Identification 167
5.4.3 Reducing Harmonics 140 5.9.4.3 Effect on Analysis 168
5.4.3.2 Harmonie 5.9.4.4 Prevention 168
Rejection Minor 140 5.9.4.5 Mitigation 168
5.4.3.2 Detuning 141 5.9.4.6 Silver Lining 169
5.4.3.3 Testing for 5.9.5 Multielectron Excitations 169
Harmonics 144 5.9.5.2 Cause 169
5.5 /on Chambers 145 5.9.5.2 Identification 169
5.5.2 Physics of Ion Chambers 145 5.9.5.3 Effect on Analysis 170
5.5.2 Limitations 146 5.9.5.4 Prevention 170
5.5.3 Choosing Fill Gasses 146 5.9.5.5 Mitigation 170
5.5.4 Amplifiers 148 5.9.6 Bragg Peaks 170
5.6 Suppressing Fluorescent 5.9.6.1 Cause 170
Background 149 5.9.6.2 Identification 170
5.6.2 Suppressing Scatter Peaks 150 5.9.6.3 Effect on
5.6.2 Suppressing Low-Energy Analysis 171
Fea/cs 154 5.9.6.4 Prevention 171
5.6.3 Making the Choice 155 5.9.6.5 Mitigation 171
5.7 Aligning the Sample 156 5.9.7 Monotonie Time-Dependent
5.8 Scan Parameters 159 Fi/ecfc 171
5.8.2 Scan Regions 160 5.9.7.2 Cause 171
5.8.2 Number of Scans 162 5.9.7.2 Identification 171
x Contents
5.9.7.3 Effect on Analysis 172 7.2 When LCA Doesn t Work 197
5.9.7.4 Prevention 172 7.2.1 Nonuniform Samples in
5.9.7.5 Mitigation 172 Transmission 198
5.9.7.6 Silver Lining 172 7.2.2 Surface Gradients in Thick
5.9.8 Oscillatory Time-Dependent Fluorescence Samples 199
Effects 172 7.2.3 Surface Gradients
5.9.8.1 Cause 172 in Electron Yield
5.9.8.2 Identification 172 Experiments 199
5.9.8.3 Effect on Analysis 172 7.3 An Example of LCA 199
5.9.8.4 Mitigation 173 7.4 Statistics of Linear Combination
5.9.8.5 Silver Lining 173 /7flmg 202
5.9.9 Electronics Out of Range 173 7.4.2 Normalizatiom A Source
5.9.9.1 Cause 173 of Systematic Error 202
5.9.9.2 Identification 173 7.4.2 Degrees of Freedom
5.9.9.3 Effect on Analysis IIA and Statistically
5.9.9.4 Prevention IIA Distinguishable Fits 204
5.9.9.5 Mitigation IIA 7.4.3 Quantifying Fit Mismatch 205
5.9.20 Sample Motion 17A 7.4.4 Degrees of Freedom 206
5.9.20.2 Cause 174 7.4.5 77?e Hamilton Test 207
5.9.10.2 Identification IIA 7.4.6 Uncertainties 208
5.9.10.3 Effect on Analysis 175 7.5 Combinatoric Fitting 210
5.9.10.4 Prevention 175 76 Sources of Systematic Error 211
5.9.10.5 Mitigation 175 76.2 Energy Alignment 211
5.9.22 LossofBeam 175 7.6.2 Background 212
5.9.22.2 Cause 175 7.6.3 Attenuation-. Self-
5.9.11.2 Identification 175 Absorption, Inhomogeneous
5.9.11.3 Effect on Analysis 175 Transmission Samples,
References 176 Harmonics, Dead Time,
and So On 213
7.6.4 Ene/gy Resolution 213
PART II - XAFS ANALYSIS 76.5 G/ztenes 213
7.6.6 A/o/se 213
6 Fingerprinting 181 77 Choosing Data Range and Space
for LCA 214
6.J Matching Empmcal Standards 182 77J XANES in Energy Space 215
6.2 FmgerprmtingSpectral Features 183 772 XANES in Derivative
6.3 Semiquantitative Fingerprinting 186 Soace 215
*Ü E™mP ec: V?nadium M^S }87 Z73 EXAFS in Energy Space 215
6.3.2 Fitting Features 188 7/4 ™fS/ (k) 216
6.4 TTKomäcal XANES Standards 191 ^ ^ ^J^ or
References 194 EXAFS 221
References 22 ^
7 Linear Combination Analysis 195
7.2 l^nen /_C4 Wfe/te 196
7.2.2 A Simple Example 196 8 Principal Component Analysis 223
7.2.2 Intimate Mixtures in 8.1 Introduction 224
Transmission 197 8.1.1 An Example from the
7.1.3 Intimate Mixtures in Literature 224
Fluorescence 197 g.2.2 Isosbestic Points 224
Contents xi
8.2 TheldeaofPCA 225 10.1.1.3 Physical
8.3 How Many Components? 229 Interpretation 266
8.3.1 Appearance of 10.1.1.4 Typical Values 267
Components 229 10.1.1.5 Effect on /(k) 267
8.3.2 Fourier Transform of 10.1.1.6 Effect on Fourier
Components 230 Transform 268
8.3.3 Compare to Measurement 10.1.1.7 Common
Error 231 Constraints 268
8.3.4 Scree 232 10.1.1.8 Correlations 269
8.3.5 Objective Criteria 234 20.2.2 Degeneracy 269
8.4 How Many Constituents? 235 10.1.2.1 Symbol N 269
8.4.2 Relationship to Number of 10.1.2.2 Nomenclature 269
Components 235 10.1.2.3 Physical
8.4.2 Energy Misalignment 236 Interpretation 269
8.4.3 Other Structural Free 10.1.2.4 Typical Values 270
Parameters 238 10.1.2.5 Effect on x(k) 270
8.4.4 Coupled Constituents 238 10.1.2.6 Effect on Fourier
8.5 PCA Formalism 238 Transform 270
8.6 Cluster Analysis 240 10.1.2.7 Common
8.7 Target Transforms 241 Constraints 270
8.8 PC4 of EX4FS 244 20.2.2.8 Correlations 272
8.9 /Vow PC4 /s Osed 244 20.2.3 Mean Square fie/anVe
8.20 Fufure Developments 244 Displacement 273
References 245 10.1.3.1 Symbol o2, C2 273
10.1.3.2 Nomenclature 273
9 Curve Fitting to Theoretica 10.1.3.3 Physical
Standards 247 Interpretation 273
9 2 F/tt/ng 248 20.2.3.4 Typ/ ca/ Ka/ues 273
22 Theoretical Standards 250 10.1.3.5 Effect on x(k) 273
9.2.2 Mun7n-7/n Potenna/s 250 20.2.3.6 E/fecf on Founer
9.2.2 Final State Rule 252 Transform 21A
9.2.3 Losses 252 20.2.3.7 Common
9.3 The Path Expansion 253 , Constraints 21A
9.3.1 Convergence 253 10.1.3.8 Correlations 275
9.3.2 Fu// Mutf/p/e Scatfer/ng 256 mi-4 £ / *«* Peducfon
9.4 /7ff/ng Strategies 257 ™c*°r 275
9.4.2 Bottom-Up Strategy 258 10.1.4.1 Symbol Sf 275
9.4.2 Top-Down Strategy 259 10.1.4.2 Nomenclature 275
Peferences 260 10.1.4.3 Physical
Interpretation 275
10.1.4.4 Typical Values 277
PART III - MODELING * .J.4.5 ^on £k). 277
10.1.4.6 Effect on Fourier
Transform 277
10 A Dictionary of Parameters 265 10.1.4.7 Common
10.1 Common Fitting Parameters 266 Constraints 277
10.1.1 Half Path Length 266 10.1.4.8 Correlations 279
20.2.2.2 Symbol D 266 20.2.5 E0 279
20.2.2.2 Nomenclature 266 20.2.5.2 Symbol E0 279
xii Contents
10.1.5.2 Nomenclature 279 11 Identifying a Good Fit 297
10.1.5.3 Physical U1 criterion 1-. Statistical Quality 298
Interpretation 279 1U1 Number of Independent
10.1.5.4 Typical Values 279 Points in EXAFS 298
10.1.5.5 Effect on X(k) 280 11.1.2 Measurement Uncertainty 301
10.1.5.6 Effect on Fourier U13 Reduced f 303
Transform 280 11.2 Criterion 2: Closeness of Fit 305
icu-5-7 Common U2_i R-Factor 305
Constraints 280 ii22 /Vam//fon Tesf 306
10.1.5.8 Correlations 282 jj 3 Cr/fer/on 3: Prec/s/on 308
20.2 /_ess Common Fitting Parameters 282 iI3i Finding Uncertainties in
10.2.1 Cumulants 282 Fitted Parameters 308
10.2.2 Third Cumulant 283 11.3.2 Calculations of Uncertainties
10.2.2.1 Symbol C3, o(3 283 by Analysis Software 309
10.2.2.2 Physical 1L3_3 How Precise? 309
Interpretation 283 ü.3.4 Correlations 310
20.2.2.3 7yp/ca/ Va/ues 283 jj.4 Cnten on 4.- S/ze of Dato
10.2.2.4 Effect on x(k) 283 /^es 310
10.2.2.5 Effect on Fourier jl.5 Criterion 5; Agreement Outside
Transform 283 the Fitted Range 311
10.2.2.6 Common ji.6 Cr/fer/on 6; SteZw // fy 313
Constraints 284 jj.7 Cr/fer/on 7- /Ire fne Pesu/fs
20.2.2.7 Correlations 285 Physically Possible? 314
20.2.3 Fourfn Cumulant 285 22.8 Criterion 8: How Defensible Is
10.2.3.1 Symbol C4, o 4 285 the Model? 315
10.2.3.2 Physical 11.9 Evaluating a Fit 316
Interpretation 285 References 318
20.2.3.3 7yp/ ca/ l^a/ues 285
10.2.3.4 Effect on xM 285 12 The Process of Fitting 319
10.2.3.5 Effect on Fourier 12.1 Identify Your Questions 320
Transform 286 22.2.2 Example-. Which Ligand? 320
10.2.3.6 Common 12.1.2 Example-. Where s the
Constraints 286 Dopant? 321
10.2.3.7 Correlations 286 12.2 Prepare Your Data 321
10.2.4 Fifth and Higher Cumulants 287 22.2.2 Transform to x(k) 321
20.2.5 /Wean Free Pafn 287 22.2.2 Cnoose k-Weighting 321
10.2.5.1 Symbol UW) 287 22.2.3 Cnoose k-Pange 322
10.2.5.2 Physical 12.2.4 Choose k-Window 325
Interpretation 287 22.3 P/an Vour Sfrafegy 325
10.2.5.3 Typical Values 287 22.3.2 Example-. Which Ligand? 325
10.2.5.4 Effect on x(k) 288 22.3.2 Example-. Where s the
10.2.5.5 Effect on Fourier Dopant? 325
Transform 288 22.4 F/ f/ 327
10.2.5.6 Common 12.4.1 Choice of R-Range 327
Constraints 289 22.4.2.2 Example: Which
10.2.5.7 Correlations 289 /./gano? 328
20.3 Scattering Parameters 290 12.4.1.2 Example.- Where s
References 296 the Dopant? 330
Contents xiii
12.4.2 Art of Fitting 330 14.6 Alternatives for Incorporating
12.4.3 Perfecting Your Fit 333 a Priori Knowledge 369
12.4.4 Stressing Your Fit 334 14.6.1 Restraints 369
References 335 14.6.2 Bayes-Turchin
Analysis 370
13 Starting Structures 337 References 371
13.1 Crystal Structures 338 pART IV - XAFS IN THE LITERATURE
13.1.1 Cluster Size and EXAFS 338
13.1.2 Cluster Size and XANES 340 15 Communicating XAFS 375
13.1.3 Sources for Crystal
Structures 341 15J Know Your Audience 376
13.2 Calculated Structures 341 ff ^erirnental Details 376
25.3 Dafa 377
25.3.2 What to Include 311
13.3 Mixtures 342
23.4 Inequivalent Absorbing Sites 344 1(_ _ , ,__ .. . ,_ _,_,
23.5 H/sfogram /tfefnods 344 £H ^ T G^S ™
13.6 Multiple-Edge Fits 344
23.7 Site Occupancy 346
23.7.2 Vacancies 346
25.3.3 Estimate of Noise 378
25.4 Dafa Reduction 378
25.5 Models and Standards 378
13.7.2 Treating as a Mixtute 347 15.5.1 Curve Fitting to Theoretical
13.7.3 Creating a Mixed Model 3 AI ,CCn.- * u- *¦
23.74 Creating Multiple Mixed 15.5.2 Linear Combination
Models 347 /Ina/ys/s and Pr/nc/pa/
References 348 Component Analysis 379
tfererences ö4ö JÄg ^^ 37g
25.6.2 GraphsofFits 379
14 Constraints 349 75.52 Closeness of Fit 379
24.2 Rigorous Constraints 350 25.6.3 Uncertainties 380
24.2 Constraints Based on a Priori 15.7 Conclusions 381
Knowledge 350 Reference 381
24.3 Constraints for Simplification 351
24.3.2 Constraints Based on 16 Case Studies 383
Grouping 351 26.2 Introduction to the Case
14.3.2 Constraints Based on Studies 384
Estimates 353 26.2 /.ead Titanate, a Ferroelectric 384
24.3.3 Constraints Based on 16.2.1 The Paper 384
Standards 354 26.2.2 The Scientific Question 384
14.4 Some Special Cases 356 26.2.3 WnyWS? 385
24.4.2 Lattice Scaling 356 26.2.4 The Structure 386
24.4.2 Correlated Debye 16.2.5 Experimental
Model 357 Considerations 387
14.5 Multiple-Scattering Paths 359 16.2.6 The Model 389
24.5.2 Focused Paths 359 26.2.6.2 Pafns 389
24.5.2 Douö/e Pafns 361 26.2.6.2 Free Parameters 390
24.5.3 Conjoined Paths 362 16.2.6.3 Constraints 390
24.5.4 Triangles, Quadrilaterals, 16.2.6.4 Degrees of
and Other Minor Freedom 391
Multiple-Scattering 16.2.7 Drawing Conclusions 391
Pafns 362 26.2.8 Presentation 392
xiv Contents
16.3 An Iron-Molybdenum Cofactor 16.4.7 Drawing Conclusions 406
Precursor 393 16.4.8 Presentation 406
16.3.1 The Paper 393 16.5 Sulfur XANES from the Wreck
16.3.2 The Scientific Question 393 of the Mary Rose 407
16.3.3 WhyXAFS? 394 16.5.1 The Paper 407
16.3.4 A Challenge and a 16.5.2 The Scientific Question 408
Solution 394 16.5.3 WhyXAFS? 408
16.3.5 Possible Structures 394 16.5.4 Experimental
16.3.6 Experimental Considerations 408
Considerations 395 16.5.5 Principal Component
16.3.7 Fingerprinting 396 Analysis 409
16.3.8 The Models for EXAFS 396 16.5.6 Linear Combination
16.3.8.1 Paths 397 ^a/ys/s 409
16 3 8 2 Free 16.5.7 Drawing Conclusions 410
Parameters 397 16.5.8 Presentation 410
26.3.8.3 Constraints 398 i6-6 Identification of Manganese-Based
163 84 Desrees of Particulates in Automobile Exhaust 411
Freedom 399 J6-6J 7/7e Pa^er 411
ic3ü n^,m^nn,/,mw qqq 16.6.2 The Scientific Question 411
26.3.9 Drawing Conclusions 399 _ 0 .... V/1C.0, -,0
16.3.10 Presentation 400 j*|* Kmenfa/
K-4 MawneseZnc Ferrite, an Example _ ^ ^Ls 412
of F/tf/rtg S/fe Occupancy 401
26.4.2 The Paper 401
16.6.5 Principal Component
Analysis and Target
6Ai Sf ™SfC QUeSf/0n ?S Transforms 413
26.4.3 WnyX/lFS/ 402
Transforms
16.6.6 Linear Combination
16.4.4 The Structure 402 Analysis 413
i6-4-5 Experimental 1667 Fmgerprinting 413
Considerations 402 i66S Drawing Conclusions 414
26.4.6 Fne Mode/ 402 J6 6 9 Presentation 414
16.4.6.1 Paths 403 16.7 The Next Case Study: Yours 415
16.4.6.2 Free References 416
Parameters 404
16.4.6.3 Constraints 404 Appendix 417
16.4.6.4 Degrees of
Freedom 406 Index 419
|
| any_adam_object | 1 |
| author | Calvin, Scott |
| author2 | Furst, Kirin Emlet |
| author2_role | ill |
| author2_variant | k e f ke kef |
| author_GND | (DE-588)1037119193 |
| author_facet | Calvin, Scott Furst, Kirin Emlet |
| author_role | aut |
| author_sort | Calvin, Scott |
| author_variant | s c sc |
| building | Verbundindex |
| bvnumber | BV041547520 |
| callnumber-first | Q - Science |
| callnumber-label | QC482 |
| callnumber-raw | QC482.S6 |
| callnumber-search | QC482.S6 |
| callnumber-sort | QC 3482 S6 |
| callnumber-subject | QC - Physics |
| classification_rvk | UP 9310 VG 9900 |
| ctrlnum | (OCoLC)915373146 (DE-599)GBV732502969 |
| dewey-full | 543/.62 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 543 - Analytical chemistry |
| dewey-raw | 543/.62 |
| dewey-search | 543/.62 |
| dewey-sort | 3543 262 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik |
| format | Book |
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| id | DE-604.BV041547520 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T00:58:15Z |
| institution | BVB |
| isbn | 9781439878637 |
| language | English |
| lccn | 2012047807 |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-026993337 |
| oclc_num | 915373146 |
| open_access_boolean | |
| owner | DE-11 DE-703 DE-188 DE-29 |
| owner_facet | DE-11 DE-703 DE-188 DE-29 |
| physical | XXVI, 427 Seiten Illustrationen, Diagramme 28 cm |
| publishDate | 2013 |
| publishDateSearch | 2013 |
| publishDateSort | 2013 |
| publisher | CRC Press, Taylor & Francis Group |
| record_format | marc |
| spelling | Calvin, Scott Verfasser (DE-588)1037119193 aut XAFS for everyone Scott Calvin ; illustrated by Kirin Emlet Furst Boca Raton CRC Press, Taylor & Francis Group [2013] XXVI, 427 Seiten Illustrationen, Diagramme 28 cm txt rdacontent n rdamedia nc rdacarrier Includes bibliographical references and index Röntgenabsorptionsfeinstruktur (DE-588)4178302-5 gnd rswk-swf Röntgenabsorptionsspektroskopie (DE-588)4178303-7 gnd rswk-swf Röntgenabsorptionsspektroskopie (DE-588)4178303-7 s DE-604 Röntgenabsorptionsfeinstruktur (DE-588)4178302-5 s Furst, Kirin Emlet ill HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026993337&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Calvin, Scott XAFS for everyone Röntgenabsorptionsfeinstruktur (DE-588)4178302-5 gnd Röntgenabsorptionsspektroskopie (DE-588)4178303-7 gnd |
| subject_GND | (DE-588)4178302-5 (DE-588)4178303-7 |
| title | XAFS for everyone |
| title_auth | XAFS for everyone |
| title_exact_search | XAFS for everyone |
| title_full | XAFS for everyone Scott Calvin ; illustrated by Kirin Emlet Furst |
| title_fullStr | XAFS for everyone Scott Calvin ; illustrated by Kirin Emlet Furst |
| title_full_unstemmed | XAFS for everyone Scott Calvin ; illustrated by Kirin Emlet Furst |
| title_short | XAFS for everyone |
| title_sort | xafs for everyone |
| topic | Röntgenabsorptionsfeinstruktur (DE-588)4178302-5 gnd Röntgenabsorptionsspektroskopie (DE-588)4178303-7 gnd |
| topic_facet | Röntgenabsorptionsfeinstruktur Röntgenabsorptionsspektroskopie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026993337&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT calvinscott xafsforeveryone AT furstkirinemlet xafsforeveryone |