Ferroelectric Materials for Energy Applications

Preface xi

1 Fundamentals of Ferroelectric Materials 1
Ling B. Kong, Haitao Huang, and Sean Li

1.1 Introduction 1

1.2 Piezoelectric Mechanical Energy Harvesting 4

1.2.1 Piezoelectricity 4

1.2.2 Brief History of Modern Piezoelectric Ceramics 6

1.2.3 Principle of Piezoelectric Effect for Mechanical Energy Harvesting 7

1.3 PyroelectricThermal Energy Harvesting 10

1.3.1 Principle of Pyroelectric Effect 10

1.3.2 Pyroelectric Coefficient and Electrocaloric Coefficient 12

1.3.3 Primary and Secondary Pyroelectric Coefficient 14

1.3.4 Tertiary Pyroelectric Coefficient and Other Aspects 15

1.3.5 Pyroelectric Effect versus Phase Transition 17

1.4 Electrocaloric (EC) Effect of Ferroelectric Materials 19

1.5 Ferroelectric Photovoltaic Solar Energy Harvesting 23

1.6 Concluding Remarks 27

References 28

2 Piezoelectric Energy Generation 33
Hong G. Yeo and Susan Trolier-McKinstry

2.1 Kinetic Energy Harvesting 33

2.1.1 Theory of Kinetic Energy Harvesting 33

2.1.2 Kinetic Vibration Source in the Ambient 35

2.1.3 Transducers for Mechanical Energy Harvesting 36

2.2 Piezoelectric Vibration Harvesting 39

2.2.1 Piezoelectricity 39

2.2.2 Theory of Piezoelectric Vibration Energy Harvesting 40

2.3 Choice of Materials for Energy Harvesting 43

2.3.1 Materials for Piezoelectric MEMS Harvesting 43

2.3.2 Effect of Stress Induced by Substrate 45

2.4 Design and Configuration of Piezoelectric Harvester 47

2.4.1 Option of Piezoelectric Configuration 47

2.4.2 Unimorph and Bimorph Structures 48

2.4.3 Linear Piezoelectric Energy Harvesters 49

2.4.4 Nonlinear Energy Harvesting 49

2.5 Review of Piezoelectric Thin Films on Metal Substrate (Foils) 52

2.6 Conclusions 53

References 53

3 Ferroelectric Photovoltaics 61
Akash Bhatnagar

3.1 Introduction 61

3.2 Historical Background 62

3.2.1 Recent Studies 68

3.3 Modulation of the Effect 74

3.3.1 Polarization 74

3.3.2 Electrodes 77

3.3.3 Band Gap Engineering 79

3.3.4 Photo-mechanical Coupling 84

3.4 Summary and Outlook 88

References 89

4 Organic–Inorganic Hybrid Perovskites for Solar Energy Conversion 95
Peng You and Feng Yan

4.1 Introduction 95

4.2 Fundamental Properties of Hybrid Perovskites 96

4.2.1 Crystal Structures 96

4.2.2 Optical Properties 97

4.2.3 Charge Transport Properties 98

4.2.4 Compositional Engineering and Bandgap Tuning 98

4.3 Synthesis of Hybrid Perovskite Crystals 99

4.3.1 Bulk Crystal Growth 99

4.3.2 Nanocrystal Synthesis 100

4.4 Deposition Methods of Perovskite Films 101

4.4.1 One-Step Solution Process 101

4.4.2 Two-Step Solution Process 102

4.4.3 Vapor-Phase Deposition 103

4.5 Efficiency Roadmap of Perovskite Solar Cells 103

4.6 Working Mechanism and Device Architectures of Perovskite Solar Cells 106

4.7 Key Challenges of Perovskite Solar Cells 108

4.7.1 Long-Term Stability 108

4.7.2 I–V Hysteresis 110

4.7.3 Toxicity of Raw Materials 111

4.8 Summary and Perspectives 111

References 112

5 Dielectric Ceramics and Films for Electrical Energy Storage 119
Xihong Hao

5.1 Introduction 119

5.2 Principles of Dielectric Capacitors for Electrical Energy Storage 120

5.2.1 The Basic Knowledge on Capacitors 120

5.2.2 Some Important Parameters for Electrical Energy Storage 122

5.2.2.1 Energy-Storage Density 122

5.2.2.2 Energy Efficiency 122

5.2.2.3 Breakdown Strength (BDS) 123

5.2.2.4 Thermal Stability 124

5.2.2.5 Power Density 125

5.2.2.6 Service Life 125

5.2.3 Measurement Techniques of Energy Density 125

5.2.3.1 Polarization-Based Method 125

5.2.3.2 Indirect Calculated Method 127

5.2.3.3 Direct Charge–Discharge Method 127

5.3 The Energy-Storage Performance in Paraelectric-Like Metal Oxides 129

5.3.1 Simple Metal Oxides 129

5.3.1.1 TiO2 129

5.3.1.2 ZrO2 130

5.3.1.3 Al2O3 130

5.3.2 Multi-metal Oxides 130

5.3.2.1 SrTiO3 131

5.3.2.2 Bi1.5Zn0.9Nb1.5O6.9 131

5.4 The Energy-Storage Performance in Antiferroelectrics 131

5.4.1 PbZrO3-Based Antiferroelectric 132

5.4.2 (Na0.5Bi0.5)TiO3-Based Antiferroelectric 140

5.4.3 AgNbO3-Based Antiferroelectric 143

5.4.4 HfO2-Based Antiferroelectric 143

5.5 Energy-Storage Performance in Glass-Ceramic Ferroelectrics 144

5.5.1 Glass-Ceramic Ferroelectrics Prepared by Compositing Method 145

5.5.2 Glass-ceramic Prepared by Body-crystallization Method 146

5.5.2.1 Lead-Containing Glass-ceramic 146

5.5.2.2 BaTiO3-Based Glass-ceramic 146

5.5.2.3 Nb-Containing Glass-ceramic 147

5.5.3 Interface Effect-Related Energy-Storage Performance 148

5.6 Energy-Storage Performance in Relaxor Ferroelectrics 151

5.6.1 PLZT Relaxor Ferroelectrics 152

5.6.2 BaTiO3-Based Relaxor Ferroelectrics 154

5.6.3 PbTiO3-Based Relaxor Ferroelectrics 157

5.6.4 BiFeO3-Based Relaxor Ferroelectrics 157

5.7 The General Future Prospects 158

References 159

6 Ferroelectric PolymerMaterials for Electric Energy Storage 169
Zhi-Min Dang,Ming-Sheng Zheng, and Jun-Wei Zha

6.1 Introduction 169

6.2 Energy StorageTheory 170

6.3 Energy Storage of Ferroelectric Polymers 172

6.4 Energy Storage of Ferroelectric Polymer-Based Nanocomposites 175

6.4.1 Ferroelectric Polymer-Based Nanocomposites Using 0D Nanofillers 177

6.4.1.1 Surface-Modified 0D Nanofillers 177

6.4.1.2 Core–Shell Structure 0D Nanofillers 181

6.4.1.3 Multilevel Structure Nanocomposites 183

6.4.2 Ferroelectric Polymer-Based Nanocomposites Using 1D Nanofillers 184

6.4.2.1 Surface-Modified 1D Nanofillers 184

6.4.2.2 Core–Shell Structure 1D Nanofillers 189

6.4.2.3 Multilevel Structure Nanocomposites 189

6.4.3 Ferroelectric Polymer-Based Nanocomposites Using 2D Nanofillers 190

6.5 Summary 193

References 193

7 Pyroelectric Energy Harvesting: Materials and Applications 203
Chris R. Bowen,Mengying Xie, Yan Zhang, Vitaly Yu. Topolov, and ChaoyingWan

7.1 Introduction to Pyroelectric Energy Harvesting 203

7.2 Nanostructured and Microscale Materials and Devices 205

7.3 Hybrid Pyroelectric Generators 207

7.3.1 Hybrid Piezoelectric and Pyroelectric System 207

7.3.2 Hybrid Pyroelectric and Solar Systems 209

7.4 Pyroelectric Oscillator Systems 210

7.5 Pyroelectric Coupling with Electrochemical Systems 212

7.6 Porous Pyroelectric Materials 212

7.6.1 Manufacture of Isotropic Porous Pyroelectric Materials 214

7.6.1.1 LostWax Replication of a Coral Skeleton (Positive Template) 214

7.6.1.2 Polymeric Sponge (Positive Template) 214

7.6.1.3 Burned Out Plastic Spheres (BURPS) (Negative Template) 215

7.6.1.4 Direct Pore Forming 215

7.6.1.5 Gel Casting 215

7.6.2 Manufacture of Anisotropic Porous Pyroelectric Materials 216

7.6.2.1 Freeze Casting 216

7.6.2.2 3D Rapid Prototyping 218

7.7 Figures of Merit and Applications Concerned with Radiations 219

7.8 Conclusions 221

Acknowledgments 222

References 222

8 Ferroelectrics in Electrocaloric Cooling 231
Biaolin Peng and Qi Zhang

8.1 Fundamentals of Electrocaloric Effects 231

8.1.1 Maxwell Relations and Coupled Electrocaloric Effects 231

8.1.2 Electrocaloric Effect Derived from the Landau–Devonshire PhenomenologicalTheory 235

8.1.3 Physical Upper Bounds on the Electrocaloric Effect Derived from the StatisticalThermodynamics Theory 236

8.1.4 ECE Measurement Methods 238

8.1.5 Positive and Negative Electrocaloric Effects 238

8.2 Electrocaloric Devices 242

8.2.1 Electrocaloric Refrigerator Prototype 242

8.2.2 MLCC and MLPC EC Refrigerator Modules 244

8.3 Electrocaloric Materials 245

8.3.1 EC in Ferroelectric Ceramics 245

8.3.1.1 In Bulk Ceramics and Single Crystals 245

8.3.1.2 InThin Films 248

8.3.2 EC in Ferroelectric Polymer Materials 250

8.3.2.1 In Normal Ferroelectric Polymers 251

8.3.2.2 In Relaxor Ferroelectric Terpolymers 253

8.3.3 EC in Other Materials 254

8.3.3.1 In Composites 254

8.3.3.2 In Liquid Crystals 257

8.3.3.3 In Fast Ion Conductors 259

8.4 Summary and Outlook 260

References 262

9 Ferroelectrics in Photocatalysis 265
Liang Fang, Lu You, and Jun-Ming Liu

9.1 Introduction 265

9.2 Fundamental Principles of Semiconductor Photocatalysis 266

9.3 Advances in Understanding Ferroelectric Photocatalytic Mechanisms 269

9.4 Photochemistry of Ferroelectric Materials 271

9.5 Photocatalytic Degradation Using Ferroelectric Materials 280

9.6 PhotocatalyticWater-splitting Using Ferroelectric Materials 289

9.7 Conclusion and Perspectives 297

9.7.1 Light Absorption 299

9.7.2 Carrier Separation and Transport 300

9.7.3 Carrier Collection/Reaction 301

Acknowledgments 301

References 301

10 First-Principles Calculations on Ferroelectrics for Energy Applications 311
Gelei Jiang,Weijin Chen, and Yue Zheng

10.1 Introduction 311

10.2 Methods 312

10.2.1 First-Principles Calculations 312

10.2.2 First-Principles-Derived Effective Hamiltonian Method 312

10.3 Energy Conversion 313

10.3.1 Piezoelectric and Flexoelectric Effect 313

10.3.2 Photovoltaic Effect 322

10.3.3 Pyroelectric and Electrocaloric Effect 327

10.4 Energy Storage 331

References 337

11 Future Perspectives 349
Haitao Huang

11.1 Enhanced Lithium Ion Transport in Polymer Electrolyte 350

11.2 Enhanced Polysulfide Trapping in Li–S Batteries 351

11.3 Enhanced Dissociation of Excitons 352

11.4 New Materials 354

11.5 New Applications 357

References 359

Index 363

Haitao Huang, PhD, is Associate Professor in the Department of Applied Physics, Hong Kong Polytechnic University, China. His research includes materials for energy storage and conversion, such as supercapacitors, lithium ion batteries, and dye-sensitized solar cells, and ferroelectric materials.

James F. Scott, PhD, is Professor in the School of Physics and Astronomy and in the School of Chemistry at University of St Andrews, UK. He is an experimental condensed matter physicist with a strong interest in ferroelectric oxides and fluorides.