Pillared Graphene: A New 3-D Network Nanostructure for Enhanced Hydrogen Storage

Georgios K. Dimitrakakis, Emmanuel Tylianakis and George E. Froudakis*
Department of Chemistry, and Materials Science and Technology Department, University of Crete, P.O. Box 2208, 71003 Heraklion, Crete, Greece
Nano Lett., 2008, 8 (10), pp 3166–3170
DOI: 10.1021/nl801417w
Publication Date (Web): September 19, 2008
Copyright © 2008 American Chemical Society

Department of Chemistry.

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Materials Science and Technology Department.

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* Corresponding author. Phone: +30-2810545055. Fax: +30-2810545001. E-mail: frudakis@chemistry.uoc.gr.

Abstract

Abstract Image

A multiscale theoretical approach was used to investigate hydrogen storage in a novel three-dimensional carbon nanostructure. This novel nanoporous material has by design tunable pore sizes and surface areas. Its interaction with hydrogen was studied thoroughly via ab initio and grand canonical Monte Carlo calculations. Our results show that, if this material is doped with lithium cations, it can store up to 41 g H2/L under ambient conditions, almost reaching the DOE volumetric requirement for mobile applications.

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History

  • Published In Issue October 08, 2008
  • Article ASAPSeptember 19, 2008
  • Received: May 16, 2008
    Revised: July 11, 2008

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