Robert Schmid and Christophe Pillot and Axel Thielmann and Hubertus BardtMatthias Zsthornak and Falk Meutzner and Jessica Lück and Arnulf Latz and Tilmann Leisegang and Juliane Hanzig and Melanie Nentwich and Jens Zosel and Perla B. BalbuenaMelanie Nentwich and Bianca Störr and Juliane HanzigFalk Meutzner and Tina Nestler and Matthias Zschornak and Pieremanuele Canepa and Gopalakrishnan S. Gautam and Stefano Leoni and Stefan Adams and Tilmann Leisegang and Vladislav A. Blatov and Dirk C. MeyerFalk Meutzner and Matthias Zschornak and Melanie Nentwich and Damien Monti and Tilmann LeisegangGoriparti Subrahmanyam and Ermanno Miele and Remo Proietti Zaccaria and Claudio CapigliaTina Weigel and Florian SchipperMax Stöber and Charaf CherkoukTina Nestler and Elsa Roedern and Nikolai F. Uvarov and Juliane Hanzig and Giuseppe Antonio Elia and Mateo de VivancoGiovanni Battista AppetecchiThomas Köhler and Juliane Hanzig and Victor KoroteevAnastasia Vyalikh and Thomas Köhler and Tatiana Zakharchenko and Daniil M. Itkis and Andraz Krajnc and Gregor MaliLyubov G. Bulusheva and Alexander V. Okotrub and Lada V. Yashina and Juan J. Velasco-Velez and Dmitry Yu. Usachov and Denis V. VyalikhHartmut StöckerMikhail V. Avdeev and Ivan A. Bobrikov and Viktor I. PetrenkoClaudia Funke and Venkata Sai Kiran ChakravadhanulaMax Stöber and Jens Zosel and Charaf CherkoukWolfram Münchgesang and Ulrike LangklotzErik Berendes and Sebastian Socher and Ulrich Potthoff

Preface	p. v
List of Contributing Authors	p. viii
1 Introduction to energy storage: market analysis, raw materials, recycling, new concepts	p. 1
1.1 Analysis of the emerging battery market and outlook	p. 1
1.1.1 Global battery markets	p. 1
1.1.2 LIB demand forecasts	p. 3
1.1.3 LIB production capacity announcements	p. 3
1.1.4 Regional distribution of cell production	p. 4
1.1.5 LIB demand by applications	p. 4
1.1.6 Developments, requirements, and future challenges across the segments EV, ESS, 3C	p. 5
1.2 Assessment of chemical elements for new battery concepts	p. 7
1.2.1 Parameters for assessment	p. 8
1.3 Conclusions	p. 14
References	p. 14
2 Fundamental principles of battery design	p. 17
2.1 Nernst equation	p. 20
2.2 The Daniell cell	p. 23
2.3 Reactions at electrified interfaces	p. 24
2.4 Diffusion and migration in crystals	p. 26
2.5 Crystallographic, crystal chemical, and crystal physical peculiarities	p. 28
2.6 Classification of battery applications and types	p. 34
References	p. 37
3 Battery concepts: The past, the present, and research highlights	p. 41
3.1 The past	p. 41
3.2 The present	p. 45
3.2.1 Flow accumulator	p. 45
3.2.2 Lead-acid accumulator	p. 47
3.2.3 Lithium ion accumulator	p. 47
3.2.4 Lithium-iron sulphide battery	p. 49
3.2.5 Lithium-sulphur and sodium-sulphur accumulator	p. 49
3.2.6 Metal fluoride accumulator	p. 51
3.2.7 Metal-air battery	p. 52
3.2.8 Mercury battery	p. 52
3.2.9 Molten salt accumulator	p. 53
3.2.10 Nickel-cadmium accumulator	p. 54
3.2.11 Nickel-metal hydride accumulator	p. 55
3.2.12 Silver oxide battery and accumulator	p. 56
3.2.13 Zinc-manganese oxide batteries	p. 57
3.3 Research highlights	p. 58
3.3.1 High-valent metal batteries	p. 58
3.3.2 3D printed cell	p. 61
3.3.3 Hybrid accumulator/fuel cell	p. 62
3.3.4 Liquid metal accumulator	p. 63
3.3.5 Metal-air accumulator	p. 64
3.3.6 Paintable accumulator	p. 65
3.3.7 Super-iron accumulator	p. 65
3.3.8 Tin-sulphur-Uthium accumulator	p. 66
3.3.9 Virus-enabled electrodes	p. 66
3.3.10 Water accumulator	p. 67
3.4 Conclusion and outlook	p. 68
References	p. 68
4 Battery Materials	p. 75
4.1 Computational analysis and identification of battery materials	p. 75
4.1.1 Introduction	p. 75
4.1.2 Voronoi-Dirichlet partitioning	p. 81
4.1.3 Bond valence methods	p. 92
4.1.4 Density functional modelling and the materials project	p. 100
4.1.5 Molecular dynamics	p. 110
4.1.6 Summary	p. 113
References	p. 114
4.2 Electrodes: definitions and systematisation - a crystallographers View	p. 123
4.2.1 Definitions	p. 124
4.2.2 Systematisation	p. 128
4.2.3 Categorisation	p. 134
4.2.4 Summary	p. 136
References	p. 136
4.3 Nanostructured anode materials	p. 138
4.3.1 Introduction	p. 139
4.3.2 Intercalation/Deintercalation materials	p. 141
4.3.3 Alloy/de-alloy materials	p. 147
4.3.4 Conversion materials	p. 152
4.3.5 Conclusions	p. 154
References	p. 155
4.4 Modification of cathode materials for Li batteries	p. 157
4.4.1 Introduction	p. 157
4.4.2 Surface coating	p. 158
4.4.3 Doping	p. 159
4.4.4 Summary	p. 161
References	p. 162
4.5 Positive electrodes based on Ion-implanted SrTiO 3	p. 166
4.5.1 Introduction	p. 167
4.5.2 Synthesis and structural characterization of SrTiO 3 single crystal O 2 -electrodes	p. 168
4.5.3 Oxygen diffusion and defect chemistry in strontium titanate	p. 169
4.5.4 Oxygen solid electrolyte coulometry on ion-implanted SrTiO 3 single crystals	p. 170
4.5.5 Summary	p. 172
References	p. 173
4.6 Separators and electrolytes for rechargeable batteries: Fundamentals and perspectives	p. 174
4.6.1 Introduction	p. 175
4.6.2 Fundamentals and categorization	p. 176
4.6.3 Solid electrolytes	p. 179
4.6.4 Ionic liquids	p. 202
4.6.5 Conclusion	p. 208
References	p. 209
4.7 Safer electrolyte components for rechargeable batteries	p. 220
4.7.1 Introduction	p. 221
4.7.2 Components for lithium battery electrolytes	p. 224
4.7.3 Electrolyte confinement in polymer hosts	p. 227
4.7.4 Electrolytes based on ionic liquid media	p. 230
4.7.5 Electrolytes based on polymer media	p. 235
4.7.6 Future trends	p. 243
4.7.7 Acronym glossary	p. 246
References	p. 247
5 Characterization methods	p. 261
5.1 Optical spectroscopy as a tool for battery research	p. 261
5.1.1 Raman spectroscopy	p. 262
5.1.2 Fourier transform infrared spectroscopy	p. 268
5.1.3 UV/Vis spectroscopy	p. 274
5.1.4 Summary	p. 276
References	p. 277
5.2 Magnetic resonance spectroscopy approaches for electrochemical research	p. 282
5.2.1 Nuclear magnetic resonance	p. 282
5.2.2 Electron paramagnetic resonance	p. 298
5.2.3 Conclusion	p. 303
References	p. 306
5.3 X-ray photoelectron spectroscopy study of the interaction of lithium with grapheme	p. 311
5.3.1 XPS introduction	p. 312
5.3.2 Fast or time-dependent XPS	p. 314
5.3.3 Disclosing structural properties of a graphene/metal interface by XPS	p. 315
5.3.4 Lithium interaction with a metal-supported graphene monolayer	p. 317
5.3.5 Lithium interaction with few-layer graphene and N-graphene	p. 318
5.3.6 A step forward: XPS under operation conditions	p. 320
5.3.7 Summary	p. 321
References	p. 322
5.4 X-ray diffraction methods	p. 324
References	p. 330
5.5 Neutron methods for tracking lithium in operating electrodes and interfaces	p. 330
5.5.1 Introduction	p. 331
5.5.2 Neutron diffraction	p. 332
5.5.2 Neutron reflectometry	p. 341
5.5.3 Small-angle neutron scattering	p. 346
5.5.4 Summary	p. 348
References	p. 350
5.6 Characterisation of battery materials by electron and ionmicroscopy techniques: a review	p. 352
5.6.1 Scanning electron microscopy: particle morphology and surface structure	p. 353
5.6.2 Transmission electron microscopy: high-resolution morphology and microstructure	p. 356
5.6.3 Chemical information and analytical electron microscopy	p. 361
5.6.4 Focused ion beam system (FIB)	p. 366
5.6.5 Overall and lithium specific challenges	p. 374
5.6.6 Summary	p. 380
References	p. 380
5.7 Oxygen solid electrolyte coulometry (OSEC)	p. 383
References	p. 385
5.8 Electrochemical analytical methods	p. 385
5.8.1 Electrochemical cell	p. 387
5.8.2 Cell components and their conductivity	p. 388
5.8.3 Measurement set-up	p. 389
5.8.4 Open circuit potential measurement	p. 390
5.8.5 Potentiostatic cycling	p. 391
5.8.6 Galvanostatic cycling	p. 392
5.8.7 Cyclic voltamrnetry	p. 393
5.8.8 Electrochemical impedance spectroscopy	p. 394
5.8.9 Summary and outlook	p. 397
References	p. 397
5.9 Applied battery diagnosis	p. 399
5.9.1 Impedance spectroscopy as a tool for applied battery diagnosis	p. 399
5.9.2 SoC determination	p. 400
5.9.3 Impedance-based temperature detection	p. 402
5.9.4 Battery degradation analysis	p. 404
5.9.5 Summary	p. 405
References	p. 406
Index	p. 409