Fundamentals of Electrocatalyst Materials and Interfacial Characterization

Preface vii 1 Physics, Chemistry and Surface Properties 1 1.1 Introduction 1 1.2 The Electrochemical Interface 2 1.2.1 Conductivity and Electrical Field: Metal Versus Electrolyte 3 1.2.2 Magnitude of Double Layer Capacitance 6 1.3 Energy in Solids and Liquids: Junction Formation 9 1.4 Surface Reactivity of Low-Index Planes 14 1.5 Electron Charge-Transfer Reactions 18 1.5.1 Hydrogen Electrode vs. Oxygen Electrode 21 1.5.2 Organic-Fuels vs. Oxygen Electrode 22 1.6 The Effect of CN- Surface Coordination on Low-Index Pt Surface: ORR 26 References 29 2 Computational Chemistry for Electro-Catalysis 35 2.1 Introduction 35 2.2 Scope and Limitations of Different Models 39 2.2.1 Clusters 40 2.2.2 Slabs 49 2.2.3 Nanoparticles 59 2.3 Influence of the Support in Electrocatalysis 64 References 69 3 The Hydrogen Electrode Reaction 75 3.1 Introduction 75 3.2 Thermodynamics 77 3.3 Hydrogen Evolution Reaction-HER 78 3.3.1 HER on Platinum Catalytic Center 85 3.3.2 HER on Non-Noble Metal Catalyst Centers 90 3.4 Hydrogen Oxidation Reaction-HOR 100 3.4.1 HOR on Precious Metal Centers 108 3.4.2 HOR on Non-Precious Metal Centers 119 References 124 4 Oxygen Reduction/Evolution Reaction 143 4.1 Introduction 143 4.2 Electrolyzer Thermodynamics 146 4.3 Oxygen Reduction Reaction 148 4.3.1 ORR Pt-Based Nano-Structure Materials 157 4.3.2 Reaction Pathways 159 4.3.3 ORR on Au and Pd-Based Nano-Structure Materials 171 4.4 Oxygen Evolution Reaction 173 References 178 5 Electrochemical Energy Storage 187 5.1 Introduction 187 5.2 Basic Terminology in Batteries 188 5.3 Present Status of Electrochemical Batteries 195 5.3.1 Lead Acid Battery 196 5.3.2 Nickel-Cadmium Battery 197 5.3.3 Nickel-Metal Hydride Battery 198 5.4 Lithium Ion Battery 199 5.4.1 Insertion Electrode Materials 202 5.4.2 Conversion Reaction Electrodes 209 5.4.3 Alloy Electrodes 210 5.5 Post-Li Technologies 210 5.5.1 Na-Ion Batteries 210 5.5.2 Lithium-Sulfur Batteries 212 5.5.3 Metal Air Batteries 215 5.5.3.1 Aqueous Metal Air Batteries 216 5.5.3.2 Non-Aqueous Metal Air Batteries 218 References 220 6 Electrocatalysis and Remediation 225 6.1 Introduction 225 6.2 NOx Reduction 228 6.3 COx Reduction and Methanol Oxidation 240 6.3.1 Methanol Oxidation 246 6.3.2 SOx Reduction 249 6.3.3 Oxidation of Emergent Pollutants 254 6.4 Determination of Nitrate-Based Compounds in DNA 257 References 262 Subject Index 277

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