Fundamental Concepts in Heterogeneous Catalysis

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John Wiley & Sons, Aug 25, 2014 - Technology & Engineering - 208 pages
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This book is based on a graduate course and suitable as a primer for any newcomer to the field, this book is a detailed introduction to the experimental and computational methods that are used to study how solid surfaces act as catalysts.

 

Features include:
  • First comprehensive description of modern theory of heterogeneous catalysis
  • Basis for understanding and designing experiments in the field  
  • Allows reader to understand catalyst design principles
  • Introduction to important elements of energy transformation technology
  • Test driven at Stanford University over several semesters
 

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Contents

Cover
Titlepage Copyright page
Further Reading
Surface Equilibria
4Rate Constants 4 1TheTimescale Problem in Simulating Rare Events
5Kinetics
4Ammonia Synthesis
6Energy Trends in Catalysis
Activity andSelectivity Maps
3Sabatier Analysis
8The Electronic Factorin Heterogeneous Catalysis 8 1The dBand Modelof Chemical Bonding
9Catalyst Structure
Poisoning and Promotion of Catalysts
11Surface Electrocatalysis
Further Reading 12 Relationof ActivitytoSurface Electronic Structure

Other editions - View all

Fundamental Concepts in Heterogeneous Catalysis
Jens K. NÃ ̧rskov,Felix Studt,Frank Abild-Pedersen,Thomas Bligaard
No preview available - 2014

Common terms and phrases

Abild-Pedersen activation energy Adapted adsorbate adsorption energy afunction ammonia synthesis andthe antibonding approximation asa function assumption atoms band barrier betweenthe binding energy Bligaard bonding canbe Catal catalysts CatApp Chapter chemical chemisorption chemisorption energy close-packed configuration contributions coverage d-band center d-states defined density density functional theory descriptor DFT calculations effect electronic structure electrostatic elementary reaction energy levels energyof entropy Equation equilibrium constant experimental Fermi level Figure free energy diagram frequency fromthe gas-phase Gibbs free energy heterogeneous catalysis hydrogen inFigure interaction inthe isthe kinetic methane methanol microkinetic model molecular molecule nanoparticles Nørskov JK onthe orbitals overpotential oxide oxygen particle physisorption plotted pressure processes quantum rate constant reactant region Reaction conditions reaction energy reaction steps reactivity scaling relations shown shows structure dependence temperature thatthe theadsorbate thereaction thesurface tothe transition metal transition metal surfaces transition state scaling variations wecan withthe

About the author (2014)

Jens K. Nørskov, PhD, is the Leland T. Edwards Professor of Engineering at Stanford University. He is the founding director of the SUNCAT Center for Interface Science and Catalysis at Stanford University and SLAC National Accelerator Laboratory. He has pioneered the development of a set of concepts allowing a molecular level understanding of surface chemical processes and heterogeneous catalysis.

Felix Studt, PhD, is a Staff Scientist at the SLAC National Accelerator Laboratory. His SUNCAT research group focuses on understanding catalytic processes for efficient energy conversion and using this as a basis for design of new catalysts.

Frank Abild-Pedersen, PhD, is a Staff Scientist at the SUNCAT Center at SLAC National Accelerator Laboratory where his group focuses on the development of theoretical models of molecule surface interactions and models describing ultrafast surface processes measured in x-ray free electron lasers.

Thomas Bligaard, PhD, is a Senior Staff Scientist at at SLAC National Accelerator Laboratory and the deputy director for theory at the SUNCAT Center. His research group focuses on the development of electronic structure methods, kinetics tools, and data mining in catalysis.

Bibliographic information

QR code for Fundamental Concepts in Heterogeneous Catalysis
TitleFundamental Concepts in Heterogeneous Catalysis
AuthorsJens K. Nørskov, Felix Studt, Frank Abild-Pedersen, Thomas Bligaard
PublisherJohn Wiley & Sons, 2014
ISBN111889202X, 9781118892022
Length208 pages
Subjects ›  › 

Science / Chemistry / General
Science / Chemistry / Physical & Theoretical
Science / Energy
Technology & Engineering / Chemical & Biochemical
  
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