12. In Silico Nanocatalysis with Transition Metal Particles: Where Are We Now?

  1. Prof. Dr. Philippe Serp3 and
  2. Dr. Karine Philippot4
  1. Iann C. Gerber1 and
  2. Romuald Poteau2

Published Online: 28 DEC 2012

DOI: 10.1002/9783527656875.ch12

Nanomaterials in Catalysis, First Edition

Nanomaterials in Catalysis, First Edition

How to Cite

Gerber, I. C. and Poteau, R. (2013) In Silico Nanocatalysis with Transition Metal Particles: Where Are We Now?, in Nanomaterials in Catalysis, First Edition (eds P. Serp and K. Philippot), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany. doi: 10.1002/9783527656875.ch12

Editor Information

  1. 3

    Toulouse University, Laboratoire de Chimie de Coordination - UPR8241 CNRS, composante ENSIACET, 4 allée Emile Monso, 31030 Toulouse Cedex 4, France

  2. 4

    Laboratoire de Chimie de Coordination du CNRS, 205 route de Narbonne, BP44099, 31077 Toulouse Cedex 4, France

Author Information

  1. 1

    Université de Toulouse, Laboratoire de Physique et Chimie des Nano-Objets (LPCNO-IRSAMC, INSA, UPS, CNRS-UMR 5215), Équipe Modélisation Physique et Chimique, 135 avenue de Rangueil, 31077 Toulouse Cedex, France

  2. 2

    Université de Toulouse, Laboratoire de Physique et Chimie des Nano-Objets (LPCNO-UMR5215, IRSAMC), Équipe Modélisation Physique et Chimique, 135 avenue de Rangueil, 31077 Toulouse Cedex, France

Publication History

  1. Published Online: 28 DEC 2012
  2. Published Print: 16 JAN 2013

ISBN Information

Print ISBN: 9783527331246

Online ISBN: 9783527656875

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Keywords:

  • nanomaterials;
  • catalysis;
  • metallic nanoparticles;
  • transition metal particles;
  • reactivity of metal surfaces;
  • surface chemistry

Summary

This chapter contains sections titled:

  • Introduction

  • Surface Chemistry and Chemistry on Facets of Nanoparticles: Is it the Same?

  • Electronic and Geometric Factors that Determine the Reactivity of Metal Surfaces

  • Theoretical Studies of Multistep Pathways

  • Conclusion

  • References