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Keywords:

  • cluster compounds;
  • density functional calculations;
  • electrochemistry;
  • hydrogen storage

Graphical Abstract

Thumbnail image of graphical abstract

Give and take: A molecular cluster that readily takes up and stores two molecules of H2 also rapidly releases (milliseconds) the stored H2 by a simple redox process. This process represents a new method of hydrogen storage and release from a well-defined molecular material.