This book covers various facets of nanomaterials and their applications including low-dimensional materials along with discussions on in vitro cell imaging, bioanalyses, UV laser applications of scheelite-type nanomaterials, and nanosized cyanobridged metal-organic frameworks, including high spin transition metal ions. It explains transition metal dichalcogenides and magnetic tunnel junction devices as an alternative to complementary metal-oxide semiconductors. One of the main aims of this book is to grow interest in the atomistic simulation process and characterization of these nanoscale devices. * Details the recent advances in the application of nanomaterials for nanoelectronics devices, sensors, and memories * Describes the first-principles approach to ultrasensitive electrically doped biosensors * Discusses the application of nanomaterials in spintronic devices, specifically magnetic tunnel junction devices with new architectures * Covers nanomaterials in water purification and conducting polymer nanocomposites in electrochemical supercapacitors * Presents the theoretical background of next-generation MRI contrast agents with nanosized cyanobridged metal-organic frameworks including high spin transition metal ions This book is aimed at researchers and graduate students of materials engineering and nanoelectronics. This book covers various facets of nanomaterials and their applications including low-dimensional materials along with discussions on in vitro cell imaging, bioanalyses, UV laser applications of scheelite-type nanomaterials, and nanosized cyanobridged metal-organic frameworks, including high spin transition metal ions. It explains transition metal dichalcogenides and magnetic tunnel junction devices as an alternative to complementary metal-oxide semiconductors. One of the main aims of this book is to grow interest in the atomistic simulation process and characterization of these nanoscale devices. Details the recent advances in the application of nanomaterials for nanoelectronics devices, sensors, and memoriesDescribes the first-principles approach to ultrasensitive electrically doped biosensorsDiscusses the application of nanomaterials in spintronic devices, specifically magnetic tunnel junction devices with new architecturesCovers nanomaterials in water purification and conducting polymer nanocomposites in electrochemical supercapacitorsPresents the theoretical background of next-generation MRI contrast agents with nanosized cyanobridged metal-organic frameworks including high spin transition metal ionsThis book is aimed at researchers and graduate students of materials engineering and nanoelectronics. Cover 1 Half Title 2 Title Page 4 Copyright Page 5 Table of Contents 6 Preface 8 List of Contributors 10 About the Editors 12 Part I Nanomaterials and Electronic Application 14 1 Materials in Emerging Nonvolatile Memory Devices 16 1.1 Introduction 16 1.2 Properties of Hafnium Oxide 19 1.3 Use of Dielectric Properties of Hafnium Oxide for Memory Applications 20 1.4 Deposition and Growth of HfO 2 Film 22 1.5 Use of Hafnium Oxide for Resistive Random Access Memory Devices 23 1.5.1 Valence Change Memory 25 1.5.2 Impact of Oxygen Vacancy 25 1.5.3 Resistive Switching Properties and the Impact of Doping/Alloying 28 1.5.4 Electrochemical Metallization Memory 31 1.5.5 Understanding Filament Formation 31 1.5.6 Quantum Conductance and Device Scaling 33 1.5.7 Impact of Metal Electrodes 36 1.5.8 Different Electrode Materials and the Impact of Location 36 1.6 Emerging Two-Dimensional Materials and Their Impact On Resistive Switching 38 1.7 Design of the Hybrid Filament in Hafnium Oxide 38 1.7.1 Hybrid Filament-Based Memory 40 1.7.2 Hybrid Filament–based Selector 41 1.8 Emerging Applications 43 1.9 Summary 45 Note 45 References 45 2 III-V Materials and Their Transistor Application 60 2.1 The Short Background Story 60 2.2 III-V Materials 60 2.3 Developing the Mathematical Model 61 2.4 Modeling the Surface Potential 61 2.5 Modeling the Drain Current 63 2.6 Model Validation and SPICE Implementation 64 2.7 Conclusion 65 References 69 3 Transition Metal Dichalcogenides Properties, Synthesis, and Application in Nanoelectronics Devices 70 3.1 Introduction 70 3.1.1 Crystal Structure of Transition Metal Dichalcogenides 71 3.2 Properties of Transition Metal Dichalcogenides 73 3.3 Preparation Technique of Transition Metal Dichalcogenides 75 3.3.1 Chemical Vapor Deposition 75 3.3.2 Metal-Organic Chemical Vapor Deposition 76 3.3.3 Liquid Phase Exfoliation 77 3.3.4 Atomic Layer Deposition 79 3.3.5 Molecular Beam Epitaxy 80 3.4 Doping of Transition Metal Dichalcogenides 82 3.5 Noble Transition Metal Dichalcogenides (NTMDs) 84 3.6 Application of Transition Metal Dichalcogenides 86 3.7 Transition Metal Dichalcogenides for Potential Application as a Gas Sensor 88 3.8 Conclusion 91 Acknowledgment 91 References 91 4 Conducting Polymer Nanocomposites for Electrochemical Supercapacitor 102 4.1 Introduction 102 4.2 Supercapacitors as Energy Storage Systems 102 4.3 Electrochemical Properties of Conducting Polymers 105 4.4 Nanocomposites of Conducting Polymers 106 4.5 Conducting Polymers Nanocomposites in Supercapacitors 107 4.5.1 PANI Nanocomposites 107 4.5.2 PPy Nanocomposites 111 4.5.3 PTh Nanocomposites 113 4.5.4 Other CP-Based Nanocomposites 114 4.6 Conclusion 116 References 117 5 Properties and Supercapacitor Applications of Graphene-Based Materials 121 5.1 Introduction 121 5.2 Graphene 122 5.3 Graphene Oxide and Reduced Graphene Oxide 123 5.4 Composites of GO and RGO With Metal Oxides 123 5.5 Synthesis of GO 124 5.6 Synthesis of RGO 125 5.7 Properties of GO and RGO 125 5.7.1 Optical Properties 125 5.7.2 Vibrational Properties 125 5.7.3 Structural Properties 126 5.7.4 Bonding Properties 127 5.7.4.1 X-Ray Photoelectron Spectroscopy (XPS) 127 5.7.4.2 Morphological Properties 127 5.8 Electrochemical Properties for Supercapacitor Application 128 5.9 Cyclic Voltammetry 129 5.10 Galvanostatic Charge Discharge (GCD) 130 5.11 Conclusion 132 Acknowledgment 132 References 132 Part II Advanced Nanomaterials: Bio-Medical Applications 136 6 First Principles Approach Toward Electrically Doped Nanodevices 138 6.1 Background 138 6.2 Density Functional Theory 138 6.3 Nonequilibrium Green’s Function 142 6.4 Molecular Modeling of Inorganic Nanodevices 143 6.5 Electrical Doping for the Organic and Inorganic Nanodevices 143 References 147 7 Nanoparticles in Biomedical Applications: MRI Contrast Agents 152 7.1 Introduction 152 7.2 Theoretical Background 153 7.2.1 Solomon-Bloembergen-Morgan (SBM) Theory 154 7.2.2 Outer-Sphere Diffusion-Based Relaxivity Model 159 7.3 Parametric Optimization for Enhancing Relaxivity 161 7.3.1 Enrichment of the Number of Coordinated Water Molecules 161 7.3.2 Optimization of Rotational Correlation Time 162 7.3.3 Minimizing Internal Motion 164 7.3.4 Optimization of Water Residency Time 164 7.4 Factors Affecting R 1 and R 2 Relaxivity 165 7.4.1 Size Effect 166 7.4.1.1 Effect On R 2 Relaxivity 166 7.4.1.2 Effect On R 1 Relaxivity 167 7.4.2 Shape 168 7.4.2.1 Cubes 169 7.4.2.2 Plates 169 7.5 Types of Contrast Agents 172 7.5.1 Routes of Administration of MRI Contrast Agent 172 7.5.3 Superparamagnetic Iron Oxide Nanoparticles (SPIONs) 182 7.5.4 Smart Contrast Agents 184 7.6 Conclusion and Future Prospects 192 References 192 8 Scheelite Materials in Cell Imaging and Bioanalysis 202 8.1 Introduction 202 8.2 Synthesis Strategy 205 8.3 Particle Growth Mechanism 205 8.3.1 Influence of Organic Ligands 205 8.3.2 The Influence of PH 208 8.3.3 The Influence of Reaction Temperature 209 8.3.4 The Influence of Reaction Time 210 8.3.5 The Influence of the Rare Earth Source 211 8.3.6 The Influence of Tungstate/Molybdate Amount 212 8.4 Application of Scheelites in Bioanalysis 213 8.4.1 Scheelites as a Sensor for Biological System 213 8.4.1.1 Temperature Sensing Using Scheelites 215 8.4.1.2 Detection of Drugs 215 8.4.2 Scheelites With Antibacterial Activity 216 8.4.3 Scheelites With Anticancer Activity 217 8.4.4 Scheelites in Water Treatment 219 8.4.5 Scheelites in the Food Industry 219 8.4.6 Effect On Cells: Cytotoxicity, Cellular Uptake, and Drug Loading 221 8.4.7 Scheelites for Cell Imaging 223 8.5 Conclusion 223 References 224 Index 232 III-V,Materials;,MOSFETs;,Nanoelectronics;,Bisensor;,Scheelite-Type,Nanomaterials;,2D,Materials III-V Materials,MOSFETs,Nanoelectronics,Bisensor,Scheelite-Type Nanomaterials,2D Materials