Perovskite Materials for Energy and Environmental Applications

Khursheed Ahmad, PhD,??completed his PhD from the Indian Institute of Technology, Indore, India in 2019. He is currently a Post-Doctoral Fellow at the School of Materials Science and Engineering, Yeungnam University, South Korea. He has published more than 30 research papers as well as 25 book chapters. Waseem Raza, PhD,??completed his PhD from Aligarh Muslim University Aligarh, India in 2016. He is currently a Post-Doctoral Fellow in the Department??of Materials Science and Engineering, University of Erlangen-Nuremberg, Germany.

Preface xi 1 Computational Approach for Synthesis of Perovskite Solar Cells 1 A.S. Mathur and B.P. Singh 1.1 Introduction 2 1.2 Preliminary Steps 2 1.3 Advanced Semiconductor Analysis (ASA) 15 1.4 Analysis of Microelectronic and Photonic Structures (AMPS) 20 1.5 Automat for Simulation of Heterostructures (AFORS-HET) 23 1.6 Solar Cell Capacitance Simulator (SCAPS) 26 1.7 Conclusion 31 References 32 2 Fundamentals of Perovskite Solar Cells 37 Neha Patni, Rokadia Zulfiqar and Krishna Patel 2.1 Introduction 37 2.2 Structure 40 2.3 Working Mechanism of PSC 42 2.4 Device Architecture 43 2.4.1 Mesoporous Structure 43 2.4.2 Planar Heterostructures 45 2.5 Properties 46 2.5.1 High Optical Absorption 46 2.5.2 High Open-Circuit Voltage 47 2.5.3 Low Recombinations 48 2.5.4 Tunable Bandgap 49 2.5.4.1 Organic Cation (A) 49 2.5.4.2 Metal Cation (M) 50 2.5.4.3 Halide Anion (X) 51 2.5.5 Rapidly Increasing Efficiency 51 2.6 Drawbacks and Ongoing Challenges of PSCs 52 2.7 Conclusion 53 Acknowledgment 54 References 54 3 Surface Morphological Effects on the Performance of Perovskite Solar Cells 59 Srinivasa Rao Pathipati 3.1 Introduction 59 3.2 Morphology Control 60 3.2.1 The Effect of Device Architecture on the Morphology and the Device Performance 60 3.2.2 Effect of Deposition Technique on the Morphology of the Perovskite Layer 62 3.2.2.1 One-Step Deposition Method 62 3.2.2.2 Two-Step Deposition Technique 64 3.2.2.3 Dual-Source Precursor Approach 69 3.2.2.4 Vacuum Deposition Technique 70 3.3 Effect of Various Parameters on Growth of Perovskite 71 3.3.1 Effect of Solvent Additive 71 3.3.2 Effect of Solid Additive 72 3.3.3 Seed-Induced Growth of Perovskites 73 3.3.4 Homogenous Cap-Induced Crystallization 75 3.3.5 Effect of Hydrophobicity 77 3.3.6 Effect of Interface Modification 81 3.3.7 Effect of Solvent Annealing 82 References 84 4 Advanced Synthesis Strategies for Single Crystal Perovskite Halides 91 Prerna and Sandeep Arya 4.1 Introduction 91 4.2 Popular Single Crystal Growth Techniques 92 4.2.1 Anti-Solvent Vapor-Assisted Crystallization (AVC) Method 99 4.2.2 Inverse Temperature Crystallization (ITC) 101 4.2.3 Modified Inverse Temperature Crystallization 104 4.2.4 Solution Temperature Lowering Method 106 4.2.4.1 Top-Seeded Solution Growth Method 107 4.2.4.2 Bottom-Seeded Solution Growth Method 108 4.2.5 Bridgman (BG) Method 110 4.3 Other Techniques 113 Conclusions 117 References 118 5 Synchrotron-Based Techniques for Analysis of Perovskite Solar Cells 123 Umar Farooq, Ruby Phul, Mohd Shabbir, Rizwan Arif and Akrema 5.1 Introduction 124 5.2 Synchrotron Techniques, Their Limitations and Advantages 128 5.3 Synchrotron Radiation X-Ray Diffraction/Scattering (SR-XRD) 128 5.4 In Situ XRD 131 5.5 Small-Angle X-Ray Scattering 133 5.6 Wide-Angle X-Ray Scattering 135 5.7 Synchrotron Radiation-Based X-Ray Absorption Techniques 135 5.8 X-Ray Absorption Near Edge Structure 137 5.9 Extended X-Ray Absorption Fine Structure 139 5.10 Conclusions 140 References 142 6 Recent Progress on Perovskite-Based Solar Cells 147 Waseem Raza and Khursheed Ahmad 6.1 Introduction 148 6.2 Device Structure and Working Principle of PSCs 152 6.3 Perovskite-Based Solar Cells 153 6.4 Conclusion 161 References 161 7 BiFeO3-Based Materials For Augmented Photoactivity 167 Rashmi Acharya, Lopamudra Acharya and Kulamani Parida 7.1 Introduction 168 7.1.1 Photocatalytic Water Splitting 171 7.1.2 Photocatalytic Conversion of CO2 171 7.1.3 Photocatalytic Fixation of Nitrogen 172 7.1.4 Selective Organic Transformation for the Synthesis of Fine Chemicals 172 7.1.5 Photodegradation of Pollutants 173 7.2 Structure, Physicochemical, and Photocatalytic Activity of BiFeO3 175 7.3 Elemental Doping in BFO 177 7.3.1 PXRD Studies 177 7.3.2 Morphological Studies 178 7.3.3 XPS Studies 179 7.3.4 Optical Property Studies 180 7.3.5 Effect of Doping on Photocatalytic Activity of BFO 182 7.4 BFO Semiconductor Heterojunction Construction 183 7.4.1 Heterojunction Construction With Wide Band Gap Semiconductors 184 7.4.2 Heterojunction Construction With Narrow Band Gap Semiconductors 193 7.5 Separation Ability and Reproducibility 198 7.6 Conclusion and Perspectives 199 7.7 Acknowledgement 200 References 201 8 Photocatalytic Degradation of Pollutants Using ZnTiO3-Based Semiconductor 217 Waseem Raza and Khursheed Ahmad 8.1 Introduction 218 8.2 Synthesis of ZnTiO3 222 8.3 Fundamental Need and Basic Mechanism for Photocatalytic Degradation of Pollutants 223 8.4 Photocatalytic Degaradation of Pollutants Based on ZnTiO3 225 8.5 Conclusion 234 References 235 9 Types of Perovskite Materials 241 Faria Khatoon Naqvi, Yashfeen Khan, Saba Beg and Anees Ahmad Abbreviations 241 9.1 Introduction 242 9.1.2 Types of Perovskite 243 9.1.2.1 ABO3 Type of Perovskite Materials 244 9.1.2.2 Oxygen and Cation-Deficient Perovskites 246 9.1.2.3 Complex Perovskites 247 9.1.2.4 Layered Perovskites 248 References 253 10 Effects of Various Additives to CH3NH3PbI3 Perovskite Solar Cells 257 Takeo Oku 10.1 Introduction 257 10.2 Crystal Structures of Perovskite Halides 258 10.3 Basic Configuration of Solar Cells 260 10.4 Cl Doping to Perovskites 266 10.5 Sb or As Doping to Perovskites 270 10.6 Highly (100)-Oriented Perovskites 274 10.7 Cu Doping to Perovskites 279 10.8 K/FA Doping to Perovskites 283 10.9 Morphology Control by Polysilane 290 10.10 High-Temperature Annealed Perovskites 295 10.11 Conclusion 305 Acknowledgements 305 References 305 Index 317