Graphdiyne: Fundamentals and Applications in Renewable Energy and Electronics

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