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Adsorption

, Volume 20, Issue 7, pp 875–882

First Online: 06 September 2014Received: 15 July 2014Accepted: 14 August 2014

Abstract

Hydrogen storage is a key technology for the advancement of hydrogen and fuel cell power technologies in transportation, stationary, and portable applications. The currents state of art shows that there is no existing material which could be used as efficient storage medium. In this paper we present a new concept of a non-conventional engineering storage solution. It is based on the recent theoretical and experimental discoveries which show existence of a new meta-stable phase of graphite with mixed sp–sp hybridization called diaphite. By means of the molecular dynamics calculations with adaptive intermolecular reactive empirical bond order potential empirical potential we show that the increase of the hydrogen-carbon binding energy on diaphite is related to the transformation of local bonds geometry from sp hybridization to sp. We propose and discuss a scenario of fully reversible photo-stimulated process of adsorption-desorption of hydrogen on-of diaphite.

KeywordsGraphite Diaphite Hydrogen Adsorption Binding energy  Download fulltext PDF



Author: Lukasz Radosinski - Bogdan Kuchta

Source: https://link.springer.com/



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