Nanostructured Multifunctional Materials: Synthesis, Characterization, Applications and Computational Simulation

Description

The development of nanomaterials plays a fundamental role in current and future technology applications, particularly nanomaterials that have multiple functionalities. This book provides a broad overview of the effect of nanostructuring in the multifunctionality of different widely studied nanomaterials. This book is divided into four sections constituting a road map that groups materials sharing certain types of nanostructuring, including nanoporous, nanoparticled, 2D laminar nanomaterials, and computational methods for characterizations of nanostructures. This structured approach in nanomaterials research will serve as a valuable reference material for chemists, (bio)engineers, physicists, nanotechnologists, undergraduates, and professors. Cover Title Page Copyright Page Preface Table of Contents 1. Introduction to Nanostructured Multifunctional Materials Introduction Zero-Dimensional (0-D) Nanomaterials One-Dimensional (1-D) Nanomaterials Two-Dimensional (2-D) Nanomaterials Three-Dimensional (3-D) Nanomaterials Effect of Nanostructuration on Surface Properties Surface Energy Effect of Surface Curvature on Chemical Potential Effect of Porosity and Confinement The Rise of Hybrid Multifunctional Materials Classification and Nomenclature Effect of the Application of MFMS on Production Acknowledgements References 2. Mesoporous Particles by Combination of Aerosol Route and Sol-Gel Process Introduction Sol-Gel Chemistry General Aspects Chemical Precursors for Silica Sol-Gel Chemistry: Organoalkoxysilanes Some Kinetical Aspects in the Hydrolysis and Condensation of SiO2 and MOx Based Materials Mesoporous Materials or ‘Pore Synthesis’ Hard Templates Soft Templates Structured Assisted Templating Lyotropic Liquid Crystal Templating Controlled Phase Separations: Spinodal Decomposition A Special Approach for Templating Colloidal Oxide Materials with High Yields: Aerosol-Based Evaporation-Induced Self-Assembly (EISA) Spray Drying Process and Devices Spray Drying Process Spray Dryer Components Atomizers i. High-Pressure Nozzle ii. Two-Fluid Nozzle iii. Rotary Atomizer iv. Ultrasonic Nebulizer Drying Chamber Particle Collectors i. Filtration ii. Cyclones iii. Electrostatic Particle Collector Laboratory Scale Commercial Spray Dryers Synthesis and Applications Precursors Alkoxides Inorganic Precursors: Nitrates and Chloride Salts Miscellaneous Precursors Greener Alternatives Templates Applications Perspectives Acknowledgements References 3. Nanostructured Semiconducting Oxide Films Introduction Anodic Oxide Film Growth A Brief Historical Review Anodic Behaviour and Nanostructuring of Titanium, Copper, and Antimony TiO2 Cu2O/CuO Sb2O3 Applications Energy Photocatalysts Molecular Sensors Conclusions and Outlook Acknowledgements References 4. Implications of Structure in Properties of Micro and Mesoporous Carbons Introduction Structure and Synthesis Methods of Porous Carbons Structure and Classification Synthetic Methods Templating Methods Synthesis from Biomass Virtual Porous Carbons (VPC) Building VPC Models VPC Applications Applications on Renewable Energy Lithium-Ion Batteries (LIBs) Lithium-Sulfur Batteries (LSBs) Sodium-Ion Batteries (NIBs) Supercapacitors Conclusion Acknowledgements References 5. Metal-Organic Frameworks (MOFs): Multi-Functionality within Order: Material’s Definitions, Descriptions. Current Trends and Applications Introduction MOFs: Nanostructured Materials Reticular Chemistry Permanent Porosity Building Units and Pore Geometries Organic Struts Secondary Building Units (SBUs) MOFs’ Pore Geometries and Affinities by Design Isoreticular Expansions Pore Environments and Multivariate Functionalities (MTV-MOFs) Pre-synthetic Functionalization of Organic Struts. Multivariate Functionalities in MOFs (MTV-MOFs) Post-Synthetic Modifications (PSM) Pore Heterogeneity within Order Multi-metallic MOFs (MM-MOFs, Fig. 5.10a) Defects in MOFs Structure (Fig. 5.10c) Concluding Remarks Acknowledgements References 6. Supported Metal Nanoparticles in Catalysis Introduction Nanoparticles in Heterogeneous Catalysis Role of Nanoparticle Morphology in Catalysis Nanoparticle Size Effect Nanoparticle Shape Effect Supported Nanoparticles in Catalysis Nanoparticle Stabilization Strong Metal-Support Interaction (SMSI) Electronic Metal-Support Interaction (EMSI) Synergistic Metal-Support Interaction Metal-Support Interfacial Sites Surface Dynamics Nanoparticles in Heterogeneous Photocatalysis Mechanisms of Plasmon-Enhanced Photocatalysis LSPR Thermal Effects LSPR Field Enhancement Effects Charge Transfer Mechanisms Supported Nanoparticles in Photocatalysis Large-scale Applications of Heterogeneous (Photo)catalysis Conclusions Acknowledgements References 7. Metallic Nanoparticles with Mesoporous Shells: Synthesis, Characterization and Applications Introduction Synthesis Characterization Applications Catalysis Sensing Nanotheranostics Conclusions and Future Perspectives Acknowledgements References 8. Nanoparticles Based Composites and Hybrids: Functionalities and Synthetic Methods and Study Cases Introduction Composite Structural Materials Integrated Structural and Non-structural Functions Self-healing Function Electrical and/or Thermal Conductivity Energy Harvesting/Storage Biocompatibility Sensing and Actuation Synthesis of Nanoparticles-based Composites and Hybrids Polymerization Powder Metallurgy Electrochemical Composite Plating Inorganic NPs in Metallic Matrix Composites (MMC) Obtained by Electroplating The Catalytic Activity of MMC Co-deposition of Metallic Oxide Nanoparticles in Metallic Alloys Organic Nanostructures in a Metallic Matrix Superficial Modification with Organic Molecules Metal Matrix Growth Around Organic Nanostructures Organic Nanostructures in an Organic Matrix Expanded Graphite and Graphene CNT and Carbon Fibres Conclusion Acknowledgements References 9. Effect of Functionalization on Graphenic Surfaces in their Properties Introduction Experimental Studies of the Effects of Covalent and Non-Covalent Functionalization of Graphene Covalent Functionalization Non-covalent Functionalization π–π Interactions Van der Waals Interactions Theoretical Studies of the Effects of Covalent and Non-Covalent Functionalization of Graphene Covalent Functionalization Elemental Functionalization (Heteroatom Doped Graphene) General Description Gas Sensing Applications Applications in Li-S Batteries Oxidized Graphene: Covalent Functionalization by Epoxy, Carboxylic and Hydroxyl Groups Non-covalent Functionalization Possible Applications of Functionalized Graphenic Surfaces Conclusions and Remarks Acknowledgements References 10. Two-Dimensional Hybrid Nanomaterials Introduction Experimental Strategies to Prepare and Characterize Hybrid Nanomaterials Novel Multiplexed Properties Multifunctional Applications Outlook and Future Perspectives Acknowledgements References 11. Graphene-based Materials as Highly Promising Catalysts for Energy Storage and Conversion Applications Introduction Graphene and Graphene-based Materials Graphene-based Materials for Energy Devices Fuel Cells Ionic Exchange Membrane Fuel Cell (IEMF) Oxygen Reduction Reaction (ORR) Nitrogen-doped Graphene-based Catalysts Sulfur-doped Graphene-based Catalysts Nitrogen and Sulfur Dual-doping Graphene-based Catalysts Hydrogen Oxidation Reaction (HOR) Direct Alcohol Fuel Cell (DAFC) Methanol Oxidation Reaction (MOR) Graphene-based Catalyst Nitrogen-doped Graphene-based Catalysts Ethanol Oxidation Reaction (EOR) Graphene-based Catalyst Nitrogen-doped Graphene-based Catalysts Nitrogen and Phosphorus Dual-doping Graphene-based Catalysts Electrolyzers Hydrogen Evolution Reaction (HER) Nitrogen and Boron-doped Graphene-based Catalysts Sulfur-doped Graphene-based Catalysts Heteroatom Dual-doped Graphene-based Catalysts Oxygen Evolution Reaction (OER) Nitrogen-doped Graphene-based Catalysts Phosphorus and Sulfur-doped Graphene-based Catalysts Nitrogen and Sulfur Dual-doping Graphene-based Catalysts Bifunctional Electrocatalysts for OER and HER Nitrogen-doped Graphene-based Catalysts Batteries Nitrogen-doped Graphene-based Catalysts Capacitors and Supercapacitors Nitrogen-doped Graphene-based Catalysts Photocatalytic Devices Nitrogen-doped Graphene-based Catalysts Sulfur-doped Graphene-based Catalysts Conclusion Acknowledgements References 12. From Bulk to Nano: Understanding the Transition through Computer Simulations Introduction Prediction vs Description Advantages and Limitations of Computational Techniques Low Dimensional Materials Periodic Boundary Conditions Material’s Properties at the Nanoscale Conclusions Acknowledgements References 13. Computer Simulations of Ultra-thin Materials: From 2D to Heterostructures Introduction The 2D Limit Graphene-like 2D Layers Transition Metal Dichalcogenides Transition Metal Oxides Additional Families and Further Considerations Van Der Waals Heterostructures Interacting 2D-TMO Films: More General Heterostructures Perspectives/Conclusions Acknowledgements References 14. Exploring Water Nanoconfinement in Mesoporous Oxides through Molecular Simulations Introduction Water Confined in Mesoporous Materials Water Structure and Dynamics inside TiO2 Nanopores Water Filling inside TiO2 Nanopores Liquid-Vapour Equilibrium: Adsorption Mechanisms Grand Canonical Screening Adsorption Isotherms Equilibrium Desorption Pressure and the Kelvin Equation Qualitative Description of Activated Mechanisms, Adsorption and Cavitation Solid-Liquid Equilibrium of Confined Water Water and Ice in Amorphous Silica Nanopores Water Crystallization in Partially Filled Nanopores Structure of Water and Ice in Silica-like Nanopores Melting Temperature and Enthalpy of Confined Water General Conclusions Acknowledgements References Index