Catalysis by Materials with Well-Defined Structures - 1st Edition - ISBN: 9780128012178, 9780128013403

Catalysis by Materials with Well-Defined Structures

1st Edition

Editors: Zili Wu Steven H. Overbury
eBook ISBN: 9780128013403
Hardcover ISBN: 9780128012178
Imprint: Elsevier Science
Published Date: 2nd April 2015
Page Count: 392
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Catalysis by Materials with Well-Defined Structures examines the latest developments in the use of model systems in fundamental catalytic science. A team of prominent experts provides authoritative, first-hand information, helping readers better understand heterogeneous catalysis by utilizing model catalysts based on uniformly nanostructured materials.

The text addresses topics and issues related to material synthesis, characterization, catalytic reactions, surface chemistry, mechanism, and theoretical modeling, and features a comprehensive review of recent advances in catalytic studies on nanomaterials with well-defined structures, including nanoshaped metals and metal oxides, nanoclusters, and single sites in the areas of heterogeneous thermal catalysis, photocatalysis, and electrocatalysis.

Users will find this book to be an invaluable, authoritative source of information for both the surface scientist and the catalysis practitioner

Key Features

  • Outlines the importance of nanomaterials and their potential as catalysts
  • Provides detailed information on synthesis and characterization of nanomaterials with well-defined structures, relating surface activity to catalytic activity
  • Details how to establish the structure-catalysis relationship and how to reveal the surface chemistry and surface structure of catalysts
  • Offers examples on various in situ characterization instrumental techniques
  • Includes in-depth theoretical modeling utilizing advanced Density Functional Theory (DFT) methods


Academic researchers, industrial professionals in catalysis science, inorganic and physical chemistry, chemical engineering, material science, and physics. Graduate and undergraduate students in catalysis, material science, chemistry and chemical engineering.

Table of Contents

  • Preface
  • Acknowledgments
  • Chapter 1. Surface Chemistry and Catalytic Properties of Well-Defined Cu2O Nanocrystals
    • 1. Introduction
    • 2. Synthesis of Well-Defined Cu2O Nanocrystals
    • 3. Surface Composition/Structure of Well-Defined Cu2O Nanocrystals
    • 4. Surface Chemistry of Well-Defined Cu2O Nanocrystals
    • 5. Catalytic Property of Well-Defined Cu2O Nanocrystals
    • 6. Summary and Outlook
  • Chapter 2. Ceria Nanoshapes—Structural and Catalytic Properties
    • 1. Introduction
    • 2. Synthesis and Morphology of Ceria Nanoshapes
    • 3. Infrared Spectroscopy of Adsorbed Species on Ceria Nanoshapes
    • 4. WGS Reactivity Measurements
    • 5. Summary
  • Chapter 3. The Characterization and Structure-Dependent Catalysis of Ceria with Well-Defined Facets
    • 1. Introduction
    • 2. Characterization of Size- and Structure-Dependent Properties of CeO2 Nanoparticles
    • 3. Heterogeneous Catalysis Reactions on Nanoshaped CeO2
    • 4. Future Directions
    • 5. Conclusions
  • Chapter 4. Gold Clusters and Nanoparticles Stabilized by Nanoshaped Ceria in Catalysis
    • 1. Introduction
    • 2. Gold Species on Ceria Nanostructures
    • 3. In Situ Characterization of Gold Species Supported on Ceria Rod and Cube
    • 4. Morphology-Dependent Catalytic Activity of Au/CeO2
    • 5. Conclusions
  • Chapter 5. Gold/Ceria: The Making of a Robust Catalyst for Fuel Processing and Hydrogen Production
    • 1. Introduction
    • 2. Ceria: Structure, Synthesis Methods, Characterization, and Catalysis
    • 3. Metal–Ceria Interaction
    • 4. Gold/Ceria Catalysts: Theoretical Studies, Preparation Methods, Characterization, and Catalysis
    • 5. Identification of the Active Site in Au/CeO2 Catalysts for the Water-Gas Shifts and the Steam Reforming of Methanol
    • 6. Outlook
  • Chapter 6. Surface Effects in the Reactivity of Ceria: A First Principles Perspective
    • 1. Introduction
    • 2. First Principles Modeling of Ceria
    • 3. Modeling Perfect Surfaces of Ceria
    • 4. Modeling of Surface Defects in Ceria
    • 5. Interaction of Oxygen with Ceria Surfaces
    • 6. Modeling of Molecular Adsorption at Surfaces
    • 7. Adsorption of Metal Atoms at Ceria Surfaces
    • 8. Tuning Reactivity: Doping of Ceria Surfaces
    • 9. Perspective and Conclusions
  • Chapter 7. Applications of Electron Microscopy in Heterogeneous Catalysis
    • 1. Introduction
    • 2. Basics of TEM
    • 3. Atomic Resolution Characterization Using TEM
    • 4. Case Studies
    • 5. Summary and Outlook
  • Chapter 8. Catalysis by Atomically Precise Gold Nanoclusters
    • 1. Introduction
    • 2. Synthesis of Atomically Precise Gold Nanoclusters
    • 3. Atomic Structures of Gold Nanoclusters
    • 4. Thermal Stability of Aun(SR)m Nanoclusters
    • 5. Catalytic Properties of Aun(SR)m Nanoclusters
    • 6. Summary
  • Chapter 9. Catalysis on Single Supported Atoms
    • 1. Introduction
    • 2. Synthesis
    • 3. Characterization
    • 4. Density Functional Theoretical Modeling of Single Supported Atoms
    • 5. Catalytic Reaction Chemistry
    • 6. Conclusions
  • Chapter 10. Tailoring Nanoparticle Electrocatalysts for Proton Exchange Membrane Fuel Cells
    • 1. Introduction
    • 2. NP Catalysts for ORR
    • 3. NP Catalysts for Fuel Oxidation Reactions
    • 4. Summary
  • Chapter 11. Nanofaceted Metal Surfaces: Structure, Reactivity, and Applications
    • 1. Introduction
    • 2. Adsorbate-Induced Faceting of Metal Surfaces
    • 3. Reactions on Faceted and Planar Metal Surfaces
    • 4. Applications of Faceted Metal Surfaces
    • 5. Summary
  • Chapter 12. Nano-Array Catalysts for Energy and Environmental Catalysis
    • 1. Introduction
    • 2. Nano-Array Catalysts for Heterogeneous Catalysis
    • 3. Conclusion
  • Index


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© Elsevier Science 2015
Elsevier Science
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About the Editor

Zili Wu

Dr. Zili Wu is currently a Research & Development Staff member at Chemical Science Division and Center for Nanophase Materials Sciences of Oak Ridge National Laboratory. After his PhD in physical chemistry at Dalian Institute of Chemical Physics in 2001, he spent over 3 years at Northwestern University as a postdoctoral associate. Dr. Wu has over 15-year experiences in heterogeneous catalysis, applied spectroscopy and nanomaterial synthesis. His research interests lie in the fundamental understanding of catalytically active sites on the surfaces and interfaces involved in traditional catalysis, photocatalysis and electrocatalysis, establishing relationships in catalytic solids as a function of time and space, using in situ and operando characterization methods, and fabricating nanomaterials with well-defined structures. His current research activities include: i). Investigation on the shape effect of oxide materials in catalysis: nanoshaped ceria as catalyst and catalyst support for redox and acid-base reactions; ii) Understanding fluid-solid interface phenomenon in electrocatalysis and photoelectrocatalysis; iii). Catalysis by low-dimensional materials. He is an active ACS member and has organized four ACS Symposia in the area of fundamental catalysis.

Affiliations and Expertise

Chemical Science Division and Center for Nanophase Materials Sciences, Oak Ridge National Lab, Oak Ridge, TN, USA

Steven H. Overbury

Steven H. Overbury received a PhD in Physical Chemistry in 1976 from University of California, Berkeley, where he was advised by Prof. Gabor Somorjai. He then went to Oak Ridge National Laboratory where he has been since. He is currently Distinguished Research Staff and leads the Surface Chemistry and Heterogeneous Catalysis group within the Chemical Sciences Division at ORNL, has been a task leader in Nanocatalysis at ORNL’s Center for Nanophase Materials Sciences, and is currently a thrust leader in the FIRST Center.. His research interests are in the area of surface chemistry and catalysis including Au catalysis, catalysis by nanostructure carbon, and structure dependence in catalysis of oxygenates on CeO2 surfaces and nanoparticles, especially with respect to effect of metal-support interactions and in structure-reactivity relationships. His professional activities have included Southeastern Catalysis Society (Director), ACS Symposium Co-organizer, Organizer, Workshop on Neutrons for Catalysis, Editorial board for Catalysis Letters, Catalysis Communications, Topic in Catalysis, External Advisory Committee for Institute for Catalysis and Energy Processes, Northwestern Univ., recipient of Battelle S&T Challenges Award, Martin Marietta Energy System Publication Award, and Martin Marietta Energy System Technical Achievement Award. He has led projects with Tennessee Eastman and participated in a personnel exchange program with Phillips Petroleum Research Laboratory.

Affiliations and Expertise

Chemical Science Division and Center for Nanophase Materials Sciences, Oak Ridge National Lab, Oak Ridge, TN, USA

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