Graphdiyne: Fundamentals and Applications in Renewable Energy and Electronics

Description

Graphdiyne Discover the most cutting-edge developments in the study of graphdiyne from a pioneer of the field In Graphdiyne: Fundamentals and Applications in Renewable Energy and Electronics, accomplished chemist Dr. Yuliang Li delivers a practical and insightful compilation of theoretical and experimental developments in the study of graphdiyne. Of interest to both academics and industrial researchers in the fields of nanoscience, organic chemistry, carbon science, and renewable energies, the book systematically summarizes recent research into the exciting new material. Discover information about the properties of graphdiyne through theoretical simulations and experimental characterizations, as well as the development of graphdiyne with appropriate preparation technology. Learn to create new graphdiyne-based materials and better understand its intrinsic properties. Find out about synthetic methodologies, the controlled growth of aggregated state structures, and structural characterization. In addition to demonstrating the interdisciplinary potential and relevance of graphdiyne, the book also offers readers: A thorough introduction to basic structure and band gap engineering, including molecular and electronic structure, mechanical properties, and the layers structure of bulk graphdiyneExplorations of Graphdiyne synthesis and characterization, including films, nanotube arrays and nanowires, nanowalls, and nanosheets, as well as characterization methodsDiscussions of the functionalization of graphdiyne, including heteroatom doping, metal decoration, and absorption of guest moleculesRigorous treatments of Graphdiyne-based materials in catalytic applications, including photo- and electrocatalysts Perfect for organic chemists, electronics engineers, materials scientists, and physicists, Graphdiyne: Fundamentals and Applications in Renewable Energy and Electronics will also find its place on the bookshelves of surface and solid-state chemists, electrochemists, and catalytic chemists seeking a one-stop reference on this rising-star carbon material. Cover Title Page Copyright Contents Preface Chapter 1 Introduction 1.1 The Development of Carbon Materials 1.2 Models and Nomenclature 1.3 Brief Introduction of Graphdiyne References Chapter 2 Basic Structure and Band Gap Engineering: Theoretical Study of GDYs 2.1 Structures 2.1.1 Theoretical Prediction and Classification 2.1.2 Geometric Structures of GDYs 2.2 Electronic Structures 2.2.1 Dirac Cones in α‐, β‐, and 6,6,12‐Graphynes 2.2.2 Semiconductor Properties of γ‐Graphynes 2.2.3 Electronic Structures Comparison of GDYs 2.2.4 Structure and Size‐Based Electronic Properties 2.2.5 Strain‐Dependent Electronic Properties 2.3 Mechanical Properties 2.3.1 Mechanical Properties of GDYs 2.3.2 Mechanical Properties of γ‐Graphyne 2.3.3 Mechanical Properties of γ‐Graphdiyne 2.3.4 Mechanical Properties of γ‐Graphynes Family 2.3.5 The Influence Factors on the Mechanical Properties of GDYs 2.4 Layers Structure of Bulk GDYs 2.4.1 Stacking Modes for Bilayer α‐Graphyne 2.4.2 Stacking Modes for Bilayer γ‐Graphyne 2.4.3 Stacking Modes for Bilayer γ‐Graphdiyne 2.4.4 Identification on the Stacking Structures of GDY 2.5 Band Gap Engineering of GDYs 2.5.1 Influences of Nonmetal Doping 2.5.2 Influences of Chemical Modification and Functionalization 2.5.3 Tunable Band Gap Under Strain 2.5.4 Graphyne Nanoribbons Under Strain or Electric Field References Chapter 3 GDY Synthesis and Characterization 3.1 Synthesis 3.1.1 Basic Chemistry 3.1.2 Cu‐Surface‐Mediated Synthesis 3.1.3 Template Synthesis 3.1.4 Interfacial Synthesis 3.1.5 Vapor–Liquid–Solid (VLS) Growth 3.1.6 Chemical Vapor Deposition (CVD) Growth 3.1.7 Explosion Approach 3.2 Characterization 3.2.1 Raman Spectroscopy 3.2.2 X‐ray Photoelectron Spectroscopy (XPS) 3.2.3 X‐ray Absorption Spectroscopy (XAS) 3.2.4 Microscope Technology 3.2.5 X‐ray Diffraction (XRD) Technique 3.2.6 Others 3.3 Summary References Chapter 4 Functionalization of GDYs 4.1 Heteroatom Doping 4.1.1 Nitrogen and Phosphor Doping 4.1.2 Halogen Doping 4.1.3 Sulfur, Boron, Hydrogen, and Other Nonmetal Heteroatoms 4.1.4 Dual Heteroatom Doping 4.2 Metal Decoration 4.2.1 Metal Atomic Decoration 4.2.2 Metallic Compounds 4.3 Absorption of Guest Molecules References Chapter 5 Graphdiyne‐Based Materials in Catalytic Applications 5.1 Graphdiyne‐Based Zero‐Valent Metal Atomic Catalysts 5.1.1 Synthetic Strategy for GDY‐Based ACs 5.1.2 Adsorption Geometry and Electronic Structures of GDY‐Based ACs 5.1.3 Morphology and Valence States of GDY‐Based ACs 5.1.4 Application of GDY‐Based ACs 5.1.4.1 Applied for Water Splitting 5.1.4.2 Applied for Ammonia Synthesis at Ambient Conditions 5.1.4.3 Applied for Oxygen Reduction Reaction 5.1.4.4 Applied for Organic Reactions 5.2 GDY‐Based Heterojunction Catalysts 5.2.1 Hydrogen Evolution Reaction on GDY‐Based Heteros 5.2.2 Oxygen Evolution Reaction on GDY‐Based Heterojunction 5.2.3 Photo‐/Photoelectrocatalytic Oxygen Evolution Reaction 5.2.4 Applied for Overall Water Splitting 5.2.5 Applied for Other Catalysis 5.3 Graphdiyne‐Based Metal‐Free Catalysts 5.3.1 Applied for Water Splitting 5.3.2 Applied for Oxygen Reduction Reactions 5.3.3 Applied for Photocatalysis References Chapter 6 Graphdiyne‐Based Materials in Rechargeable Batteries Applications 6.1 Introduction 6.2 Lithium‐Ion Battery Anodes 6.3 Graphdiyne Derivatives for LIB Anodes 6.4 Sodium Ion Battery Anodes 6.5 Electrochemical Interface 6.5.1 Function of Interface 6.5.2 Protection for LIBs Anodes 6.5.3 Protection for LIB Cathodes 6.6 Lithium–Sulfur Battery 6.7 Lithium Metal Anodes 6.8 Supercapacitor Electrodes 6.9 Fuel Cells References Chapter 7 Graphdiyne‐Based Materials in Solar Cells Applications 7.1 Perovskite Solar Cells 7.1.1 Graphdiyne‐Based Materials in Interfacial Layers 7.1.2 Graphdiyne‐Based Materials in Active Layers 7.2 Organic Solar Cells 7.3 Others 7.3.1 Quantum Dots Solar Cells 7.3.2 Dye‐Sensitized Solar Cells 7.4 Future Perspectives References Chapter 8 Graphdiyne: Electronics, Thermoelectrics, and Magnetism Applications 8.1 Electronic Devices 8.2 Optic Devices 8.3 Thermoelectric Materials 8.4 Magnetism References Chapter 9 Graphdiyne‐Based Materials in Sensors and Separation Applications 9.1 Sensors 9.1.1 Biomolecules Sensor 9.1.1.1 DNA Detection 9.1.1.2 RNA and Amino Acids Detection 9.1.2 Small‐Molecule Detection Sensor 9.1.2.1 Gas Sensor 9.1.2.2 Humidity Detection 9.1.2.3 Hydrogen Peroxide Detection 9.1.2.4 Glucose Detection 9.1.3 Other Sensors 9.2 Separation 9.2.1 Gas Separation 9.2.1.1 Hydrogen Separation 9.2.1.2 Oxygen Separation 9.2.1.3 Carbon Dioxide Separation 9.2.1.4 Helium Separation 9.2.2 Oil/Water Separation 9.3 Conclusion and Perspective References Chapter 10 Perspectives 10.1 Chemical Synthesis Methodology and Aggregate Structures of Graphdiyne 10.2 Controllable Preparation of Highly Ordered Graphdiyne 10.3 Fundamental Physical Properties and Applications of Graphdiyne Index EULA