Spectroscopy and Characterization of Nanomaterials and Novel Materials

and Its Correlation Length 57 3.2.2 Mesoscale Spin Glass Dynamics 60 3.3 Summary 64 Acknowledgments 64 References 64 4 Raman Spectroscopy Characterization of Mechanical and Structural Properties of Epitaxial Graphene 67 Amira Ben Gouider Trabelsi, Feodor V. Kusmartsev, Anna Kusmartseva, and Fatemah Homoud Alkallas 4.1 Introduction 67 4.2 Epitaxial Graphene Mechanical Properties Investigation 68 4.2.1 Optical Location of Epitaxial Graphene Layers 68 4.2.2 Raman Location of Mechanical Properties Changes 71 4.2.2.1 Graphene 2D Mode 71 4.2.2.2 G Mode Investigation 74 4.2.2.3 Strain Percentage 76 4.3 Raman Polarization Study 77 4.3.1 Size Domain of Graphene Layer 77 4.3.2 Polarization Study 78 4.4 Conclusions 80 Acknowledgments 80 References 80 5 Raman Spectroscopy Studies of III?V Type II Superlattices 83 Henan Liu and Yong Zhang 5.1 Introduction 83 5.2 Raman Study on InAs/GaSb SL 84 5.2.1 Analysis on (001) Scattering Geometry 85 5.2.2 Analysis on (110) Scattering Geometry 86 5.3 Raman Study on InAs/InAs1-xSbx SL 90 5.3.1 Raman Results for the Constituent Bulks and InAs1-xSbx Alloys 90 5.3.2 Analysis on (001) Scattering Geometry for the SLs 93 5.3.3 Analysis on (110) Scattering for the SLs 95 5.4 A Comparison Among the InAs/InAs1-xSbx, InAs/GaSb, and GaAs/AlAs SLs 97 5.5 Conclusion 98 References 98 6 Dissecting the Molecular Properties of Nanoscale Materials Using Nuclear Magnetic Resonance Spectroscopy 101 Nipanshu Agarwal and Krishna Mohan Poluri 6.1 Introduction to Nanomaterials 101 6.2 Techniques Used for Characterization of Nanomaterials 104 6.3 Nuclear Magnetic Resonance (NMR) Spectroscopy 105 6.3.1 Principle of NMR Spectroscopy 106 6.3.2 Various NMR Techniques Used in Nanomaterial Characterization 106 6.3.2.1 One-dimensional NMR Spectroscopy 108 6.3.2.2 Relaxometry (T1 and T2) 108 6.3.2.3 Two-dimensional NMR Spectroscopy 110 6.3.3 Advantages and Disadvantages of Using NMR Spectroscopy 114 6.4 Applications of NMR in Nanotechnology 115 6.4.1 NMR for Characterization of Nanomaterials 115 6.4.1.1 Characterization of Gold Nanomaterials by NMR 115 6.4.1.2 Characterization of Organic Nanomaterials by NMR 119 6.4.1.3 Characterization of Quantum Dots and Nanodiamonds by NMR 120 6.4.2 Elucidating the Molecular Characteristics/Interactions of Nanomaterials Using NMR 120 6.4.2.1 Characterizing Nanodisks Using Paramagnetic NMR 120 6.4.2.2 Characterizing Nanomaterials Using Low Field NMR (LF-NMR) 123 6.4.2.3 Analyzing Nanomaterial Interactions Using 2D NMR Techniques 123 6.4.3 Characterization of Magnetic Contrast Agents (MR-CAs) 128 6.5 Conclusions 132 Acknowledgments 132 References 132 7 Charge Dynamical Properties of Photoresponsive and Novel Semiconductors Using Time-Resolved Millimeter-Wave Apparatus 149 Biswadev Roy, Branislav Vlahovic, M.H. Wu, and C.R. Jones 7.1 Introduction 149 7.1.1 Why Charge Dynamics for Novel Materials in the Millimeter-Wave Regime? 150 7.1.2 Underlying Theory of Operation and Time-Resolved Data: Treatment of Internal Fields in Samples 154 7.1.3 Apparatus Design and Instrumentation 156 7.1.4 Sensitivity Analysis and Dynamic Range 158 7.1.5 Calibration Factor 159 7.2 Studies on RF Responses of Materials 162 7.2.1 Transmission and Reflection Response for GaAs 162 7.2.2 Silicon Response by Resistivity 162 7.2.2.1 Charge Carrier Concentration 165 7.2.2.2 Millimeter-Wave Probe and Laser Data 166 7.2.2.3 TR-mmWC Charge Dynamical Parameter Correlation Table and Sample-Resistivity 168 7.2.2.4 Photoconductance (¿G) Using Calculated Sensitivity 171 7.3 CdSxSe1-x Nanowires 174 7.3.1 Transmission and Reflection Response Spectra for CdX Nanowire 174 7.3.2 Millimeter-Wave Signal Coherence and Decay Response of CdSxSe1-x Nanowire 176 7.4 Conclusions 182 7.5 Data: CdSxSe1-x TR-mmWC Responses for Various Pump Fluences 182 Acknowledgments 183 References 183 8 Metal Nanoclusters 187 Sayani Mukherjee and Sukhendu Mandal 8.1 Introduction 187 8.2 Gold Nanoclusters 189 8.2.1 Phosphine-protected Au-NCs 190 8.2.2 Thiol-protected Nanoclusters 193 8.2.2.1 Brust?Schiffrin Synthesis 193 8.2.2.2 Modified Brust?Schiffrin Synthesis 194 8.2.2.3 Size-focusing Method 197 8.2.2.4 Ligand Exchange-induced Structural Transformation 200 8.2.3 Other Ligands as Protecting Agents 202 8.3 Mixed Metals Alloy Nanoclusters 202 8.4 Conclusion 203 8.5 Future Direction 203 Acknowledgment 204 References 204 Part II Modeling and Simulation 211 9 Simulations of Gas Separation by Adsorption 213 Hawazin Alghamdi, Hind Aljaddani, Sidi Maiga, and Silvina Gatica 9.1 Introduction 213 9.2 Simulation Methods 216 9.2.1 Molecular Dynamics Simulations 216 9.2.2 Monte Carlo Simulations 217 9.2.3 Ideal Adsorbed Solution Theory (IAST) 218 9.3 Models 220 9.3.1 Molecular Models 220 9.3.2 Substrate Models 221 9.3.3 Validation of the Methods and Force Fields 222 9.4 Examples 223 9.4.1 GCMC Simulation of CO2/CH4 Binary Mixtures on Nanoporous Carbons 223 9.4.2 MD Simulations of CO2/CH4 Binary Mixtures on Graphene Nanoribbons/Graphite 224 9.4.3 MD Simulations of H2O/N2 Binary Mixtures on Graphene 228 9.4.4 Calculation of the Selectivity of CO2 and CH4 on Graphene Using the IAST 231 9.5 Conclusion 236 References 236 10 Recent Advances in Weyl Semimetal (MnBi2Se4) and Axion Insulator (MnBi2Te4) 239 Sugata Chowdhury, Kevin F. Garrity, and Francesca Tavazza 10.1 Introduction 239 10.2 Discussion 241 10.2.1 MBS 242 10.2.2 MBT 243 10.3 Outlook 252 References 253 Part III Applications 261 11 Chemical Functionalization of Carbon Nanotubes and Applications to Sensors 263 Khurshed Ahmad Shah and Muhammad Shunaid Parvaiz 11.1 Introduction 263 11.2 Properties of Carbon Nanotubes 267 11.2.1 Electrical Properties 267 11.2.2 Mechanical Properties 269 11.2.3 Optical Properties 269 11.2.4 Physical Properties 271 11.3 Properties of Functionalized Carbon Nanotubes 272 11.3.1 Mechanical Properties 272 11.3.2 Electrical Properties 272 11.4 Types of Chemical Functionalization 273 11.4.1 Thermally Activated Chemical Functionalization 273 11.4.2 Electrochemical Functionalization 273 11.4.3 Photochemical Functionalization 274 11.5 Chemical Functionalization Techniques 274 11.5.1 Chemical Techniques 274 11.5.2 Electrons/Ions Irradiation Techniques 275 11.5.3 Specialized Techniques 275 11.6 Sensing Applications of Carbon Nanotubes 276 11.6.1 Gas Sensors 276 11.6.2 Biosensors 277 11.6.3 Chemical Sensors 277 11.6.4 Electrochemical Sensors 278 11.6.5 Temperature Sensors 278 11.6.6 Pressure Sensors 278 11.7 Advantages and Disadvantages of Carbon Nanotube Sensors 278 11.8 Summary 279 References 280 12 Graphene for Breakthroughs in Designing Next-Generation Energy Storage Systems 287 Abhilash Ayyapan Nair, Manoj Muraleedharan Pillai, and Sankaran Jayalekshmi 12.1 Introduction 287 12.2 Li?Ion Cells 289 12.2.1 Basic Working Mechanism 289 12.2.2 Role of Graphene: Graphene Foam-Based Electrodes for Li?Ion Cells 291 12.3 Li?S Cells 294 12.3.1 Advantages of Li?S Cells 295 12.3.2 Working of Li?S Cells 295 12.3.3 Challenges of Li?S Cells 296 12.3.4 Graphene-Based Sulfur Cathodes for Li?S Cells 297 12.3.5 Graphene Oxide-Based Sulfur Cathodes for Li?S Cells 298 12.4 Supercapacitors 299 12.4.1 Basic Working Principle 299 12.4.2 Graphene-Based Supercapacitor Electrodes 300 12.4.3 Graphene/Polymer Composites as Electrodes 303 12.4.4 Graphene/Metal Oxide Composite Electrodes 305 12.5 Li?Ion Capacitors 306 12.5.1 Working Principle 306 12.5.2 Graphene/Graphene Composites as Cathode Materials 307 12.5.3 Graphene/Graphene Composites as Anode Materials 309 12.6 Looking Forward 310 References 311 13 Progress in Nanostructured Perovskite Photovoltaics 317 Sreekanth Jayachandra Varma and Ramakrishnan Jayakrishnan 13.1 Introduction 317 13.2 Nanostructured Perovskites as Efficient Photovoltaic Materials 318 13.3 Perovskite Quantum Dots 321 13.4 Perovskite Nanowires and Nanopillars 324 13.4.1 2D Perovskite Nanostructures 326 13.4.2 2D/3D Perovskite Heterostructures 330 13.5 Summary 336 References 336 14 Applications of Nanomaterials in Nanomedicine 345 Ayanna N. Woodberry and Francis E. Mensah 14.1 Introduction 345 14.2 Nanomaterials, Definition, and Historical Perspectives 345 14.2.1 What Are Nanomaterials? 345 14.2.2 Origin and Historical Perspectives 346 14.2.3 Synthesis of Nanomaterials 349 14.2.3.1 Inorganic Nanoparticles 349 14.3 Nanomaterials and Their Use in Nanomedicine 351 14.3.1 What Is Nanomedicine? 351 14.3.2 The Myth of Small Molecules 351 14.3.3 Nanomedicine Drug Delivery Has Implications that Go Beyond Medicine 351 14.3.4 Improvement in Function 351 14.3.5 Nanomaterials Use in Nanomedicine for Therapy 351 14.3.5.1 Progress in Polymer Therapeutics as Nanomedicine 351 14.3.5.2 Recent Progress in Polymer: Therapeutics as Nanomedicines 352 14.3.5.3 Use of Linkers 354 14.3.5.4 Targeting Moiety 354 14.3.6 Polymeric Drugs 355 14.3.7 Polymeric-Drug Conjugates 355 14.3.8 Polymer?Protein Conjugates 356 14.4 The Use of Nanomaterials in Global Health for the Treatment of Viral Infections Such As the DNA and the RNA Viruses, Retroviruses, Ebola, and COVID-19 356 14.4.1 Nanomaterials in Radiation Therapy 358 14.5 Conclusion 359 References 359 15 Application of Carbon Nanomaterials on the Performance of Li-Ion Batteries 361 Quinton L. Williams, Adewale A. Adepoju, Sharah Zaab, Mohamed Doumbia, Yahya Alqahtani, and Victoria Adebayo 15.1 Introduction 361 15.2 Battery Background 362 15.2.1 Genesis of the Rechargeable Battery 362 15.2.2 Battery Cell Classifications 363 15.2.2.1 Primary Batteries ? Non-rechargeable Batteries 363 15.2.2.2 Secondary Batteries ? Rechargeable Batteries 363 15.2.3 Comparison of Rechargeable Batteries 363 15.2.4 Internal Battery Cell Components 364 15.2.4.1 Cathode 365 15.2.4.2 Anode 366 15.2.4.3 Electrolyte 366 15.2.5 Crystal Structure of Active Materials 366 15.2.5.1 Layered LiCoO2 367 15.2.5.2 Spinel LiM2O4 367 15.2.5.3 Olivine LiFePO4 368 15.2.5.4 NCM 369 15.2.6 Principle of Operation of Li-Ion Batteries 370 15.2.7 Battery Terminology 371 15.2.7.1 Battery Safety 373 15.2.8 A Glimpse into the Future of Battery Technology 374 15.3 High C-Rate Performance of LiFePO4/Carbon Nanofibers Composite Cathode for Li-Ion Batteries 375 15.3.1 Introduction 375 15.3.2 Experimental 375 15.3.2.1 Preparation of Composite Cathode 375 15.3.2.2 Characterization 376 15.3.3 Results and Discussion 376 15.3.4 Summary 379 15.4 Graphene Nanoplatelet Additives for High C-Rate LiFePO4 Battery Cathodes 380 15.4.1 Introduction 380 15.4.2 Experimental 381 15.4.2.1 Composite Cathode Preparation and Battery Assembly 381 15.4.2.2 Characterizations and Electrochemical Measurements 382 15.4.3 Results and Discussion 382 15.4.4 Summary 386 15.5 LiFePO4 Battery Cathodes with PANI/CNF Additive 386 15.5.1 Introduction 386 15.5.2 Experimental 386 15.5.2.1 Preparation of the PANI/CNF Conducting Agent and Coin Cell 387 15.5.3 Results and Discussion 387 15.5.4 Conclusion 392 15.6 Reduced Graphene Oxide ? LiFePO4 Composite Cathode for Li-Ion Batteries 393 15.6.1 Introduction 393 15.6.2 Experimental 394 15.6.3 Results and Discussion 394 15.6.4 Summary 398 15.7 Rate Performance of Carbon Nanofiber Anode for Lithium-Ion Batteries 398 15.7.1 Introduction 398 15.7.2 Experimental 398 15.7.3 Results and Discussion 399 15.7.4 Summary 401 15.8 NCM Batteries with the Addition of Carbon Nanofibers in the Cathode 402 15.8.1 Introduction 402 15.8.2 Experimental 403 15.8.3 Results and Discussion 403 15.8.4 Summary 405 15.9 Conclusion 407 Acknowledgments 407 References 408 Part IV Space Science 415 16 Micro-Raman Imaging of Planetary Analogs: Nanoscale Characterization of Past and Current Processes 417 Dina M. Bower, Ryan Jabukek, Marc D. Fries, and Andrew Steele 16.1 Introduction 417 16.2 Relationships Between Minerals 421 16.2.1 Minerals in the Solar System 421 16.2.2 Minerals as Indicators of Life and Habitability 425 16.3 Planetary Analogs 427 16.3.1 Modern Terrestrial Analogs 427 16.3.2 Ancient Terrestrial Analogs 429 16.4 Meteorites and Lunar Rocks 431 16.5 Carbon 434 16.5.1 Definition and Description of Macromolecular Carbon 434 16.5.2 Macromolecular Carbon on the Earth and in Astromaterials 435 16.5.3 Macromolecular Carbon in Petrographic Context 437 16.6 Conclusion 439 References 439 17 Machine Learning and Nanomaterials for Space Applications 453 Eric Lyness, Victoria Da Poian, and James Mackinnon 17.1 Introduction to Artificial Intelligence and Machine Learning 453 17.1.1 What Do We Mean by Artificial Intelligence and Machine Learning? 454 17.1.2 The Field of Data Analysis and Data Science 455 17.1.2.1 Data Analysis 455 17.1.2.2 Data Science 455 17.1.3 Applications in Nanoscience 456 17.2 Machine Learning Methods and Tools 457 17.2.1 Types of ML 457 17.2.1.1 Supervised 457 17.2.1.2 Unsupervised 459 17.2.1.3 Semi-supervised 460 17.2.1.4 Reinforcement Learning 460 17.2.2 The Basic Techniques and the Underlying Algorithms 460 17.2.2.1 Regression (Linear, Logistic) 460 17.2.2.2 Decision Tree 461 17.2.2.3 Neural Networks 461 17.2.2.4 Expert Systems 463 17.2.2.5 Dimensionality Reduction 463 17.2.3 Available Tools: Discussion of the Software Available, Both Free and Commercial, and How They Can Be Used by Nonexperts 464 17.3 Limitations of AI 464 17.3.1 Data Availability 464 17.3.1.1 Splitting Your Dataset 464 17.3.2 Warnings in Implementation (Overfitting, Cross-validation) 465 17.3.3 Computational Power 465 17.4 Case Study: Autonomous Machine Learning Applied to Space Applications 466 17.4.1 Few Existing AI Applications for Planetary Missions 466 17.4.2 MOMA Use-Case Project (Leaning Toward Science Autonomy) 467 17.5 Challenges and Approaches to Miniaturized Autonomy 468 17.5.1 Computing Requirements of AI/Machine Learning 468 17.5.2 Why Is Space Hard? 469 17.5.3 Software Approaches for Embedded Hardware 471 17.6 Summary: How to Approach AI 473 References 474 Index 477