Fundamental Concepts in Heterogeneous Catalysis.

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Nørskov, Jens K.
Otros Autores: Studt, Felix, Abild-Pedersen, Frank, Bligaard, Thomas
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Hoboken : Wiley, 2014.
Temas:
Heterogeneous catalysis.
Catalyse hétérogène.
Heterogeneous catalysis
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Machine-generated contents note: 1. Heterogeneous Catalysis and a Sustainable Future
  • 2. The Potential Energy Diagram
  • 2.1. Adsorption
  • 2.2. Surface Reactions
  • 2.3. Diffusion
  • 2.4. Adsorbate-Adsorbate Interactions
  • 2.5. Structure Dependence
  • 2.6. Quantum and Thermal Corrections to the Ground-State Potential Energy
  • 3. Surface Equilibria
  • 3.1. Chemical Equilibria in Gases, Solids, and Solutions
  • 3.2. The Adsorption Entropy
  • 3.3. Adsorption Equilibria: Adsorption Isotherms
  • 3.4. Free Energy Diagrams for Surface Chemical Reactions
  • Appendix 3.1 The Law of Mass Action and the Equilibrium Constant
  • Appendix 3.2 Counting the Number of Adsorbate Configurations
  • Appendix 3.3 Configurational Entropy of Adsorbates
  • 4. Rate Constants
  • 4.1. The Timescale Problem in Simulating Rare Events
  • 4.2. Transition-State Theory
  • 4.3. Recrossings and Variational Transition-State Theory
  • 4.4. Harmonic Transition-State Theory
  • 5. Kinetics
  • 5.1. Microkinetic Modelling
  • 5.2. Microkinetics of Elementary Surface Processes
  • 5.3. The Microkinetics of Several Coupled Elementary Surface Processes
  • 5.4. Ammonia Synthesis
  • 6. Energy Trends in Catalysis
  • 6.1. Energy Correlations for Physisorbed Systems
  • 6.2. Chemisorption Energy Scaling Relations
  • 6.3. Transition-State Energy Scaling Relations in Heterogeneous Catalysis
  • 6.4. Universality of Transition-State Scaling Relations
  • 7. Activity and Selectivity Maps
  • 7.1. Dissociation Rate-Determined Model
  • 7.2. Variations in the Activity Maximum with Reaction Conditions
  • 7.3. Sabatier Analysis
  • 7.4. Examples of Activity Maps for Important Catalytic Reactions
  • 7.4.1. Ammonia Synthesis
  • 7.4.2. The Methanation Reaction
  • 7.5. Selectivity Maps
  • 8. The Electronic Factor in Heterogeneous Catalysis
  • 8.1. The d-Band Model of Chemical Bonding at Transition Metal Surfaces
  • 8.2. Changing the d-Band Centre: Ligand Effects
  • 8.3. Ensemble Effects in Adsorption
  • 8.4. Trends in Activation Energies
  • 8.5. Ligand Effects for Transition Metal Oxides
  • 9. Catalyst Structure: Nature of the Active Site
  • 9.1. Structure of Real Catalysts
  • 9.2. Intrinsic Structure Dependence
  • 9.3. The Active Site in High-Surface Area Catalysts
  • 9.4. Support and Structural Promoter Effects
  • 10. Poisoning and Promotion of Catalysts
  • 11. Surface Electrocatalysis
  • 11.1. The Electrified Solid-Electrolyte Interface
  • 11.2. Electron Transfer Processes at Surfaces
  • 11.3. The Hydrogen Electrode
  • 11.4. Adsorption Equilibria at the Electrified Surface-Electrolyte Interface
  • 11.5. Activation Energies in Surface Electron Transfer Reactions
  • 11.6. The Potential Dependence of the Rate
  • 11.7. The Over-potential in Electrocatalytic Processes
  • 11.8. Trends in Electrocatalytic Activity: The Limiting Potential Map
  • 12. Relation of Activity to Surface Electronic Structure
  • 12.1. Electronic Structure of Solids
  • 12.2. The Band Structure of Solids
  • 12.3. The Newns-Anderson Model
  • 12.4. Bond-Energy Trends
  • 12.5. Binding Energies Using the Newns-Anderson Model.

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