2D Materials as Electrocatalysts

Chapter 1: Introduction to 2D Electrocatalysts 1.1 Background 1.2 Categories of 2D electrocatalysts 1.2.1 Graphene 1.2.2 Hexagonal Boron Nitride (h-BN) 1.2.3 Black phosphorus 1.2.4 Transition-Metal Dichalcogenides 1.2.5 Transition Metal Oxides 1.2.6 MXenes 1.2.7 Graphitic Carbon Nitride Chapter 2: Development Protocols and Catalyst Design 2.1 Development Protocols 2.1.1 CVD 2.1.2 Exfoliations 2.1.3 Hydro/Solvothermal 2.1.4 Others 2.2 Catalyst Design 2.2.1 Controlling the electronic structure of electrocatalysts 2.2.2 Creating dual active sites 2.2.3 Adjusting surface geometry of electrocatalysts 2.2.4 Lateral size and thickness regulation 2.2.4 Comparative analysis via experiments and computations Chapter 3: Characteristics and Performance of 2D Electrocatalysts 3.1 Electrochemical reactions at catalyst surfaces 3.2 Electrochemical stability of 2D materials as electrodes 3.3 Electron transfer at 2D materials in electrochemical reactions 3.4 Parameters for evaluating performance of catalytic activity 3.4.1 Over potential and Gibbs free energy 3.4.2 Tafel Slope and Exchange Current Density 3.4.3 Turnover Frequency 3.4.4 Stability Chapter 4: Electrochemical Hydrogen Evolution Reaction 4.1 Principal of HER 4.2 Graphene-Based Electrocatalysts 4.2.1 Single-Atom Catalyst 4.2.2 Heteroatom-Doped Graphene 4.3 Transition metal dichalcogenides (TMDC) 4.3.1 Mechanisms of Electrochemical HER 4.3.1.1 Acidic Media 4.3.1.2 Alkaline Media 4.3.2 TMDC-Metal Electrocatalysts 4.3.3 TMDC–Carbon-Material Electrocatalysts 4.3.4 TMDC–Metal-Oxide Electrocatalysts 4.3.5 Heterostructure schemes 4.3.5.1 TMDC/TMDC Heterostructures 4.3.5.2 Noble-Metal-Based Heterostructures 4.3.5.3 Transition-Metal-Hydroxide-Based Heterostructures 4.3.5.4 Transition metal oxide-Based Heterostructures 4.4 2D-MXenes for HER 4.5 Challenges for 2D electrocatalysts in HER Chapter 5: Electrochemical Oxygen Reduction Reaction 5.1 Reaction Kinetics and mechanism 5.2 Graphene-Based Electrocatalysts 5.2.1 Pt supported graphene catalysts 5.2.2 Pt supported heteroatom-doped graphene catalysts 5.2.3 Non-precious metal catalysts on graphene 5.3 Transition metal dichalcogenides 5.3.1 Controlling Electronic Structure 5.3.2 Metal Doping 5.4 Transition Metal Oxides 5.5 Transition Metal Hydroxides 5.6 2D-MXenes for ORR 5.7 Challenges for 2D electrocatalysts in ORR Chapter 6: Electrochemical CO2 Reduction and Beyond 6.1 CO2 Reduction 6.1.1 Reaction Kinetics and mechanism 6.1.2 Graphene-based electrocatalysts 6.1.3 Transition metal 6.1.4 Transition metal-oxides 6.1.5 Transition-Metal Dichalcogenides 6.1.6 2D-MXenes for CO2 Reduction 6.2 Other Reactions 6.2.1 Nitrogen Reduction Reaction 6.2.2 Oxidation of Carbon Fuels 6.3 Industrial significance of electrocatalysis for clean energy 6.3.1 Activity at the edges 6.3.2 Mass transport 6.3.3 Introducing impurities and defects 6.4 Challenges for 2D electrocatalysts in CO2 Reduction Chapter 7: Strategies to Improve Electrocatalytic Activity 7.1 Hydrogen Evolution Reaction 7.1.1 Engineering protocols 7.1.1.1 Defect Engineering 7.1.1.2 Phase Engineering 7.1.1.3 Interface and Strain Engineering 7.1.2 Heteroatoms Doping 7.1.2.1 Nonmetal Doping 7.1.2.2 Metal Doping 7.1.3 Increase in Electrical Conductivity 7.1.4 Optimization of Kinetics 7.2 Oxygen reduction reactions 7.2.1 Defect Engineering 7.2.2 Nonmetal Doping 7.2.3 Metal Doping 7.3 CO2 reduction reactions 7.3.1 Surface Engineering 7.3.2 Optimization of electrolyte and electrolyzer Chapter 8: Conclusion and remarks