Spectroscopy and Characterization of Nanomaterials and Novel Materials

Prabhakar Misra, PhD, is a Professor in the Department of Physics and Astronomy at Howard University in Washington, DC. He has over 30 years of experience researching the detection and spectroscopic characterization of jet-cooled free radicals, ions and stable molecules of relevance to combustion phenomena and plasmas, Raman spectroscopy and Molecular Dynamics simulation of nanomaterials for gas-sensing applications, and other contemporary areas in experimental atomic and molecular physics and condensed matter physics.

• Preface  xixAbout the Editor  xxvii  Part I Spectroscopy and Characterization 1  1 Spectroscopic Characterization of Graphitic Nanomaterials and Metal Oxides for Gas Sensing 3Olasunbo Farinre, Hawazin Alghamdi, and Prabhakar Misra1.1 Introduction and Overview  31.1.1 Graphitic Nanomaterials  31.1.1.1 Synthesis of Graphitic Nanomaterials  51.1.2 Metal Oxides  81.2 Spectroscopic Characterization of Graphitic Nanomaterials and Metal Oxides 91.2.1 Graphitic Nanomaterials  91.2.1.1 Characterization of Carbon Nanotubes (CNTs)  101.2.1.2 Characterization of Graphene and Graphene Nanoplatelets (GnPs)  111.2.2 Characterization of Tin Dioxide (SnO2)  121.3 Graphitic Nanomaterials and Metal Oxide-Based Gas Sensors  191.3.1 Fabrication of Graphitic Nanomaterials-Based Gas Sensors  191.3.1.1 Carbon Nanotube (CNT)-Based Gas Sensors  191.3.1.2 Graphene and Graphene Nanoplatelet (GnP)-Based Gas Sensors  201.3.2 Fabrication of Metal Oxide-Based Gas Sensors  211.3.2.1 Tin Dioxide (SnO2)-Based Gas Sensors  231.4 Conclusions and Future Work 24 Acknowledgments 26 References 26  2 Low-dimensional Carbon Nanomaterials: Synthesis, Properties, and Applications Related to Heat Transfer, Energy Harvesting, and Energy Storage 33Mahesh Vaka, Tejaswini Rama Bangalore Ramakrishna, Khalid Mohammad, and Rashmi Walvekar2.1 Introduction  332.2 Synthesis and Properties of Low-dimensional Carbon Nanomaterials  352.2.1 Zero-dimensional Carbon Nanomaterials (0-DCNs)  352.2.1.1 Fullerene  352.2.1.2 Carbon-encapsulated Metal Nanoparticles  352.2.1.3 Nanodiamond  372.2.2 Onion-like Carbons  382.2.3 One-dimensional Carbon Nanomaterials  392.2.3.1 Carbon Nanotube  392.2.3.2 Carbon Fibers  392.2.4 Two-dimensional Carbon Nanomaterials  402.3 Applications  422.3.1 Hydrogen Storage  422.3.2 Solar Cells  432.3.3 Thermal Energy Storage  442.3.4 Energy Conversion  452.4 Conclusions  46References  46  3 Mesoscale Spin Glass Dynamics  55Samaresh Guchhait3.1 Introduction  553.2 What Is a Spin Glass?  563.2.1 Spin Glass and Its Correlation Length  573.2.2 Mesoscale Spin Glass Dynamics  603.3 Summary 64 Acknowledgments 64 References 64  4 Raman Spectroscopy Characterization of Mechanical and Structural Properties of Epitaxial Graphene 67Amira Ben Gouider Trabelsi, Feodor V. Kusmartsev, Anna Kusmartseva, and Fatemah Homoud Alkallas4.1 Introduction  674.2 Epitaxial Graphene Mechanical Properties Investigation  684.2.1 Optical Location of Epitaxial Graphene Layers  684.2.2 Raman Location of Mechanical Properties Changes  714.2.2.1 Graphene 2D Mode  714.2.2.2 G Mode Investigation  744.2.2.3 Strain Percentage  764.3 Raman Polarization Study  774.3.1 Size Domain of Graphene Layer  774.3.2 Polarization Study  784.4 Conclusions 80 Acknowledgments 80 References 80  5 Raman Spectroscopy Studies of III–V Type II Superlattices  83Henan Liu and Yong Zhang5.1 Introduction  835.2 Raman Study on InAs/GaSb SL  845.2.1 Analysis on (001) Scattering Geometry  855.2.2 Analysis on (110) Scattering Geometry  865.3 Raman Study on InAs/InAs1−xSbx SL  905.3.1 Raman Results for the Constituent Bulks and InAs1−xSbx Alloys  905.3.2 Analysis on (001) Scattering Geometry for the SLs  935.3.3 Analysis on (110) Scattering for the SLs  955.4 A Comparison Among the InAs/InAs1−xSbx, InAs/GaSb, and GaAs/AlAs SLs 975.5 Conclusion  98References  98  6 Dissecting the Molecular Properties of Nanoscale Materials Using Nuclear Magnetic Resonance Spectroscopy 101Nipanshu Agarwal and Krishna Mohan Poluri6.1 Introduction to Nanomaterials  1016.2 Techniques Used for Characterization of Nanomaterials  1046.3 Nuclear Magnetic Resonance (NMR) Spectroscopy  1056.3.1 Principle of NMR Spectroscopy  1066.3.2 Various NMR Techniques Used in Nanomaterial Characterization  1066.3.2.1 One-dimensional NMR Spectroscopy  1086.3.2.2 Relaxometry (T1 and T2)  1086.3.2.3 Two-dimensional NMR Spectroscopy  1106.3.3 Advantages and Disadvantages of Using NMR Spectroscopy  1146.4 Applications of NMR in Nanotechnology  1156.4.1 NMR for Characterization of Nanomaterials  1156.4.1.1 Characterization of Gold Nanomaterials by NMR  1156.4.1.2 Characterization of Organic Nanomaterials by NMR  1196.4.1.3 Characterization of Quantum Dots and Nanodiamonds by NMR 1206.4.2 Elucidating the Molecular Characteristics/Interactions of Nanomaterials Using NMR 1206.4.2.1 Characterizing Nanodisks Using Paramagnetic NMR  1206.4.2.2 Characterizing Nanomaterials Using Low Field NMR (LF-NMR) 1236.4.2.3 Analyzing Nanomaterial Interactions Using 2D NMR Techniques  1236.4.3 Characterization of Magnetic Contrast Agents (MR-CAs)  1286.5 Conclusions 132 Acknowledgments 132 References 132  7 Charge Dynamical Properties of Photoresponsive and Novel Semiconductors Using Time-Resolved Millimeter-Wave Apparatus 149Biswadev Roy, Branislav Vlahovic, M.H. Wu, and C.R. Jones7.1 Introduction  1497.1.1 Why Charge Dynamics for Novel Materials in the Millimeter-Wave Regime? 1507.1.2 Underlying Theory of Operation and Time-Resolved Data: Treatment of Internal Fields in Samples 1547.1.3 Apparatus Design and Instrumentation  1567.1.4 Sensitivity Analysis and Dynamic Range  1587.1.5 Calibration Factor  1597.2 Studies on RF Responses of Materials  1627.2.1 Transmission and Reflection Response for GaAs  1627.2.2 Silicon Response by Resistivity  1627.2.2.1 Charge Carrier Concentration  1657.2.2.2 Millimeter-Wave Probe and Laser Data  1667.2.2.3 TR-mmWC Charge Dynamical Parameter Correlation Table and Sample-Resistivity 1687.2.2.4 Photoconductance (ΔG) Using Calculated Sensitivity  1717.3 CdSxSe1−x Nanowires  1747.3.1 Transmission and Reflection Response Spectra for CdX Nanowire  1747.3.2 Millimeter-Wave Signal Coherence and Decay Response of CdSxSe1−x Nanowire 1767.4 Conclusions  1827.5 Data: CdSxSe1−x TR-mmWC Responses for Various Pump Fluences  182Acknowledgments  183References  183  8 Metal Nanoclusters  187Sayani Mukherjee and Sukhendu Mandal8.1 Introduction  1878.2 Gold Nanoclusters  1898.2.1 Phosphine-protected Au-NCs  1908.2.2 Thiol-protected Nanoclusters 1938.2.2.1 Brust–Schiffrin Synthesis  1938.2.2.2 Modified Brust–Schiffrin Synthesis  1948.2.2.3 Size-focusing Method  1978.2.2.4 Ligand Exchange-induced Structural Transformation  2008.2.3 Other Ligands as Protecting Agents  2028.3 Mixed Metals Alloy Nanoclusters  2028.4 Conclusion  2038.5 Future Direction 203 Acknowledgment 204 References 204  Part II Modeling and Simulation  211  9 Simulations of Gas Separation by Adsorption  213Hawazin Alghamdi, Hind Aljaddani, Sidi Maiga, and Silvina Gatica9.1 Introduction  2139.2 Simulation Methods  2169.2.1 Molecular Dynamics Simulations  2169.2.2 Monte Carlo Simulations  2179.2.3 Ideal Adsorbed Solution Theory (IAST)  2189.3 Models  2209.3.1 Molecular Models  2209.3.2 Substrate Models  2219.3.3 Validation of the Methods and Force Fields  2229.4 Examples  2239.4.1 GCMC Simulation of CO2/CH4 Binary Mixtures on Nanoporous Carbons 2239.4.2 MD Simulations of CO2/CH4 Binary Mixtures on Graphene Nanoribbons/Graphite 2249.4.3 MD Simulations of H2O/N2 Binary Mixtures on Graphene  2289.4.4 Calculation of the Selectivity of CO2 and CH4 on Graphene Using the IAST 2319.5 Conclusion  236References  23610 Recent Advances in Weyl Semimetal (MnBi2Se4) and Axion Insulator (MnBi2Te4) 239Sugata Chowdhury, Kevin F. Garrity, and Francesca Tavazza10.1 Introduction  23910.2 Discussion  24110.2.1 MBS  24210.2.2 MBT  24310.3 Outlook  252References  253  Part III  Applications  261  11 Chemical Functionalization of Carbon Nanotubes and Applications to Sensors 263Khurshed Ahmad Shah and Muhammad Shunaid Parvaiz11.1 Introduction  26311.2 Properties of Carbon Nanotubes  26711.2.1 Electrical Properties  26711.2.2 Mechanical Properties  26911.2.3 Optical Properties  26911.2.4 Physical Properties  27111.3 Properties of Functionalized Carbon Nanotubes  27211.3.1 Mechanical Properties  27211.3.2 Electrical Properties  27211.4 Types of Chemical Functionalization  27311.4.1 Thermally Activated Chemical Functionalization  27311.4.2 Electrochemical Functionalization  27311.4.3 Photochemical Functionalization  27411.5 Chemical Functionalization Techniques  27411.5.1 Chemical Techniques  27411.5.2 Electrons/Ions Irradiation Techniques  27511.5.3 Specialized Techniques  27511.6 Sensing Applications of Carbon Nanotubes  27611.6.1 Gas Sensors  27611.6.2 Biosensors  27711.6.3 Chemical Sensors  27711.6.4 Electrochemical Sensors  27811.6.5 Temperature Sensors  27811.6.6 Pressure Sensors  27811.7 Advantages and Disadvantages of Carbon Nanotube Sensors  27811.8 Summary  279References  280  12 Graphene for Breakthroughs in Designing Next-Generation Energy Storage Systems 287Abhilash Ayyapan Nair, Manoj Muraleedharan Pillai, and Sankaran Jayalekshmi12.1 Introduction  28712.2 Li–Ion Cells  28912.2.1 Basic Working Mechanism  28912.2.2 Role of Graphene: Graphene Foam-Based Electrodes for Li–Ion Cells 29112.3 Li–S Cells  29412.3.1 Advantages of Li–S Cells  29512.3.2 Working of Li–S Cells  29512.3.3 Challenges of Li–S Cells  29612.3.4 Graphene-Based Sulfur Cathodes for Li–S Cells  29712.3.5 Graphene Oxide-Based Sulfur Cathodes for Li–S Cells  29812.4 Supercapacitors  29912.4.1 Basic Working Principle  29912.4.2 Graphene-Based Supercapacitor Electrodes  30012.4.3 Graphene/Polymer Composites as Electrodes  30312.4.4 Graphene/Metal Oxide Composite Electrodes  30512.5 Li–Ion Capacitors  30612.5.1 Working Principle  30612.5.2 Graphene/Graphene Composites as Cathode Materials  30712.5.3 Graphene/Graphene Composites as Anode Materials  30912.6 Looking Forward  310References  311  13 Progress in Nanostructured Perovskite Photovoltaics 317Sreekanth Jayachandra Varma and Ramakrishnan Jayakrishnan13.1 Introduction  31713.2 Nanostructured Perovskites as Efficient Photovoltaic Materials  31813.3 Perovskite Quantum Dots  32113.4 Perovskite Nanowires and Nanopillars  32413.4.1 2D Perovskite Nanostructures  32613.4.2 2D/3D Perovskite Heterostructures  33013.5 Summary  336References  336  14 Applications of Nanomaterials in Nanomedicine  345Ayanna N. Woodberry and Francis E. Mensah14.1 Introduction  34514.2 Nanomaterials, Definition, and Historical Perspectives 34514.2.1 What Are Nanomaterials?  34514.2.2 Origin and Historical Perspectives  34614.2.3 Synthesis of Nanomaterials  34914.2.3.1 Inorganic Nanoparticles  34914.3 Nanomaterials and Their Use in Nanomedicine  35114.3.1 What Is Nanomedicine?  35114.3.2 The Myth of Small Molecules  35114.3.3 Nanomedicine Drug Delivery Has Implications that Go Beyond Medicine 35114.3.4 Improvement in Function  35114.3.5 Nanomaterials Use in Nanomedicine for Therapy  35114.3.5.1 Progress in Polymer Therapeutics as Nanomedicine  35114.3.5.2 Recent Progress in Polymer: Therapeutics as Nanomedicines  35214.3.5.3 Use of Linkers  35414.3.5.4 Targeting Moiety  35414.3.6 Polymeric Drugs  35514.3.7 Polymeric-Drug Conjugates  35514.3.8 Polymer–Protein Conjugates  35614.4 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 35614.4.1 Nanomaterials in Radiation Therapy  35814.5 Conclusion  359References  359  15 Application of Carbon Nanomaterials on the Performance of Li-Ion Batteries 361Quinton L. Williams, Adewale A. Adepoju, Sharah Zaab, Mohamed Doumbia, Yahya Alqahtani, and Victoria Adebayo15.1 Introduction  36115.2 Battery Background  36215.2.1 Genesis of the Rechargeable Battery  36215.2.2 Battery Cell Classifications  36315.2.2.1 Primary Batteries – Non-rechargeable Batteries  36315.2.2.2 Secondary Batteries – Rechargeable Batteries  36315.2.3 Comparison of Rechargeable Batteries  36315.2.4 Internal Battery Cell Components  36415.2.4.1 Cathode  36515.2.4.2 Anode  36615.2.4.3 Electrolyte  36615.2.5 Crystal Structure of Active Materials  36615.2.5.1 Layered LiCoO2  36715.2.5.2 Spinel LiM2O4  36715.2.5.3 Olivine LiFePO4  36815.2.5.4 NCM  36915.2.6 Principle of Operation of Li-Ion Batteries  37015.2.7 Battery Terminology  37115.2.7.1 Battery Safety  37315.2.8 A Glimpse into the Future of Battery Technology  37415.3 High C-Rate Performance of LiFePO4/Carbon Nanofibers Composite Cathode for Li-Ion Batteries 37515.3.1 Introduction  37515.3.2 Experimental  37515.3.2.1 Preparation of Composite Cathode  37515.3.2.2 Characterization  37615.3.3 Results and Discussion  37615.3.4 Summary  37915.4 Graphene Nanoplatelet Additives for High C-Rate LiFePO4 Battery Cathodes 38015.4.1 Introduction  38015.4.2 Experimental  38115.4.2.1 Composite Cathode Preparation and Battery Assembly  38115.4.2.2 Characterizations and Electrochemical Measurements  38215.4.3 Results and Discussion  38215.4.4 Summary  38615.5 LiFePO4 Battery Cathodes with PANI/CNF Additive  38615.5.1 Introduction  38615.5.2 Experimental  38615.5.2.1 Preparation of the PANI/CNF Conducting Agent and Coin Cell  38715.5.3 Results and Discussion  38715.5.4 Conclusion  39215.6 Reduced Graphene Oxide – LiFePO4 Composite Cathode for Li-Ion Batteries 39315.6.1 Introduction  39315.6.2 Experimental  39415.6.3 Results and Discussion  39415.6.4 Summary  39815.7 Rate Performance of Carbon Nanofiber Anode for Lithium-Ion Batteries 39815.7.1 Introduction  39815.7.2 Experimental  39815.7.3 Results and Discussion  39915.7.4 Summary  40115.8 NCM Batteries with the Addition of Carbon Nanofibers in the Cathode 40215.8.1 Introduction  40215.8.2 Experimental  40315.8.3 Results and Discussion  40315.8.4 Summary  40515.9 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 417Dina M. Bower, Ryan Jabukek, Marc D. Fries, and Andrew Steele16.1 Introduction  41716.2 Relationships Between Minerals  42116.2.1 Minerals in the Solar System  42116.2.2 Minerals as Indicators of Life and Habitability  42516.3 Planetary Analogs  42716.3.1 Modern Terrestrial Analogs  42716.3.2 Ancient Terrestrial Analogs  42916.4 Meteorites and Lunar Rocks  43116.5 Carbon  43416.5.1 Definition and Description of Macromolecular Carbon  43416.5.2 Macromolecular Carbon on the Earth and in Astromaterials  43516.5.3 Macromolecular Carbon in Petrographic Context  43716.6 Conclusion  439References  439  17 Machine Learning and Nanomaterials for Space Applications 453Eric Lyness, Victoria Da Poian, and James Mackinnon17.1 Introduction to Artificial Intelligence and Machine Learning  45317.1.1 What Do We Mean by Artificial Intelligence and Machine Learning? 45417.1.2 The Field of Data Analysis and Data Science  45517.1.2.1 Data Analysis  45517.1.2.2 Data Science  45517.1.3 Applications in Nanoscience  45617.2 Machine Learning Methods and Tools  45717.2.1 Types of ML  45717.2.1.1 Supervised  45717.2.1.2 Unsupervised  45917.2.1.3 Semi-supervised  46017.2.1.4 Reinforcement Learning  46017.2.2 The Basic Techniques and the Underlying Algorithms  46017.2.2.1 Regression (Linear, Logistic)  46017.2.2.2 Decision Tree  46117.2.2.3 Neural Networks  46117.2.2.4 Expert Systems  46317.2.2.5 Dimensionality Reduction  46317.2.3 Available Tools: Discussion of the Software Available, Both Free and Commercial, and How They Can Be Used by Nonexperts 46417.3 Limitations of AI  46417.3.1 Data Availability  46417.3.1.1 Splitting Your Dataset  46417.3.2 Warnings in Implementation (Overfitting, Cross-validation)  46517.3.3 Computational Power  46517.4 Case Study: Autonomous Machine Learning Applied to Space Applications 46617.4.1 Few Existing AI Applications for Planetary Missions  46617.4.2 MOMA Use-Case Project (Leaning Toward Science Autonomy)  46717.5 Challenges and Approaches to Miniaturized Autonomy  46817.5.1 Computing Requirements of AI/Machine Learning  46817.5.2 Why Is Space Hard?  46917.5.3 Software Approaches for Embedded Hardware  47117.6 Summary: How to Approach AI  473References  474Index  477