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.
Author(s): Esteban A. Franceschini
Publisher: CRC Press
Year: 2021
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
