Heterogeneous Catalysis at Nanoscale for Energy Applications E-Book

Franklin Tao

• Herausgeber: John Wiley & Sons
• Kategorie: Wissenschaft und neue Technologien
• Sprache: Englisch

Seitenzahl: 606

Veröffentlichungsjahr: 2015

Beschreibung

This book presents both the fundamentals concepts and latest achievements of a field that is growing in importance since it represents a possible solution for global energy problems.  It focuses on an atomic-level understanding of heterogeneous catalysis involved in important energy conversion processes. It presents a concise picture for the entire area of heterogeneous catalysis with vision at the atomic- and nano- scales, from synthesis, ex-situ and in-situ characterization, catalytic activity and selectivity, to mechanistic understanding based on experimental exploration and theoretical simulation.

The book:

• Addresses heterogeneous catalysis, one of the crucial technologies employed within the chemical and energy industries
• Presents the recent advances in the synthesis and characterization of nanocatalysts as well as a mechanistic understanding of catalysis at atomic level for important processes of energy conversion
• Provides a foundation for the potential design of revolutionarily new technical catalysts and thus the further development of efficient technologies for the global energy economy
• Includes both theoretical studies and experimental exploration
• Is useful as both a textbook for graduate and undergraduate students and a reference book for scientists and engineers in chemistry, materials science, and chemical engineering

Leseprobe

CONTENTS

Cover

Title page

Copyright page

Contributors

1 Introduction

References

2 Chemical Synthesis of Nanoscale Heterogeneous Catalysts

2.1 Introduction

2.2 Brief Overview of Heterogeneous Catalysts

2.3 Chemical Synthetic Approaches

2.4 Core–Shell Nanoparticles and Controls of Surface Compositions and Surface Atomic Arrangements

2.5 Summary

References

3 Physical Fabrication of Nanostructured Heterogeneous Catalysts

3.1 Introduction

3.2 Cluster Sources

3.3 Mass Analyzers

3.4 Survey of Cluster Deposition Apparatuses in Catalysis Studies

Acknowledgments

References

4

Ex Situ

Characterization

4.1 Introduction

4.2

Ex Situ

Characterization Techniques

4.3 Some Examples on

Ex Situ

Characterization of Nanocatalysts for Energy Applications

4.4 Conclusions

Acknowledgments

References

5 Applications of Soft X-Ray Absorption Spectroscopy for

In Situ

Studies of Catalysts at Nanoscale

5.1 Introduction

5.2

In Situ

SXAS under Reaction Conditions

5.3 Examples of

In Situ

SXAS Studies under Reaction Conditions Using Reaction Cells

5.4 Summary

References

6 First-Principles Approaches to Understanding Heterogeneous Catalysis

6.1 Introduction

6.2 Computational Models

6.3 NO

x

Reduction

6.4 Adsorption at Metal Surfaces

6.5 Elementary Surface Reactions Between Adsorbates

6.6 Coverage Effects on Reaction and Activation Energies at Metal Surfaces

6.7 Summary

References

7 Computational Screening for Improved Heterogeneous Catalysts and Electrocatalysts

7.1 Introduction

7.2 Trends-Based Studies in Computational Catalysis

7.3 Computational Screening of Heterogeneous Catalysts and Electrocatalysts

7.4 Challenges and New Frontiers in Computational Catalyst Screening

7.5 Conclusions

Acknowledgments

References

8 Catalytic Kinetics and Dynamics

8.1 Introduction

8.2 Basics of Catalyst Functionality, Mechanisms, and Elementary Reactions on Surfaces

8.3 Transition State Theory, Collision Theory, and Rate Constants

8.4 Density Functional Theory Calculations

8.5 Thermodynamic Consistency of the DFT-Predicted Energetics

8.6 State Properties from Statistical Thermodynamics

8.7 Semiempirical Methods for Predicting Thermodynamic Properties and Kinetic Parameters

8.8 Analysis Tools for Microkinetic Modeling

8.9 Concluding Remarks

Acknowledgments

References

9 Catalysts for Biofuels

9.1 Introduction

9.2 Lignocellulosic Biomass

9.3 Carbohydrate Upgrading

9.4 Lignin Conversion

9.5 Continued Efforts for the Development of Robust Catalysts

References

10 Development of New Gold Catalysts for Removing CO from H

2

10.1 Introduction

10.2 General Description of Catalyst Development

10.3 Development of WGS catalysts

10.4 Development of New Gold Catalysts for PROX

10.5 Perspectives

Acknowledgments

References

11 Photocatalysis in Generation of Hydrogen from Water

11.1 Solar Energy Conversion

11.2 Semiconductor particles: Optical and Electronic Nature

11.3 Photocatalyst Materials for Overall Water Splitting: UV to Visible Light Response

11.4 Cocatalysts for Photocatalytic Overall Water Splitting

11.5 Concluding Remarks

References

12 Photocatalysis in Conversion of Greenhouse Gases

12.1 Introduction

12.2 Outline of Photocatalytic Conversion of CO

2

12.3 Reaction Mechanism for the Photocatalytic Conversion of CO

2

12.4 Summary

References

13 Electrocatalyst Design in Proton Exchange Membrane Fuel Cells for Automotive Application

13.1 Introduction

13.2 Advanced Electrocatalysts

13.3 Electrode Designs

13.4 Concluding Remarks

Acknowledgments

References

Index

End User License Agreement

List of Tables

Chapter 06