5. Energy Storage: Hydrogen

  1. Aron Walsh2,
  2. Alexey A. Sokol3 and
  3. C. Richard A. Catlow4
  1. Viet-Duc Le and
  2. Yong-Hyun Kim

Published Online: 25 APR 2013

DOI: 10.1002/9781118551462.ch5

Computational Approaches to Energy Materials

Computational Approaches to Energy Materials

How to Cite

Le, V.-D. and Kim, Y.-H. (2013) Energy Storage: Hydrogen, in Computational Approaches to Energy Materials (eds A. Walsh, A. A. Sokol and C. R. A. Catlow), John Wiley & Sons Ltd, Oxford, UK. doi: 10.1002/9781118551462.ch5

Editor Information

  1. 2

    Department of Chemistry, University of Bath, UK

  2. 3

    Department of Chemistry, University College London, UK

  3. 4

    Department of Chemistry, University College London, UK

Author Information

  1. Graduate School of Nanoscience and Technology, KAIST, Daejeon, South Korea

Publication History

  1. Published Online: 25 APR 2013
  2. Published Print: 14 APR 2013

ISBN Information

Print ISBN: 9781119950936

Online ISBN: 9781118551462

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Keywords:

  • chemisorption approach;
  • hydrogen storage;
  • Kubas approach;
  • physisorption approach;
  • spillover approach

Summary

This chapter mainly focuses on the recent progress on hydrogen storage utilizing Kubas-like mechanisms in metal-decorated nanostructures and related theoretical issues. The first section of the chapter briefly outlines current trends and opportunities in chemisorption. The second section presents hydrogen physisorption in porous media such as a metal—organic framework (MOF). The third section talks about current attempts to store hydrogen via spillover effects. Physisorption materials such as metal-organic frameworks have fast and reversible kinetics, but the required cryogenic operation temperature is far from satisfactory. The Kubas approach stands somewhere in between chemisorption and physisorption. It is said that the Kubas approach has most benefited from first-principles calculations. Many subtle and complicated aspects of the Kubas interaction have been revealed through the understanding of the electronic structure brought forward from a range of theoretical studies.