“Naked fluoride” binding sites for physisorptive hydrogen storage

FUEL 169

Abbie Trewin, abbiet@liv.ac.uk1, G. R. Darling, darling@liverpool.ac.uk2, and Andrew I. Cooper, aicooper@liv.ac.uk1. (1) Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 3BX, United Kingdom, (2) Surface Science Research Centre, University of Liverpool, Oxford Street, Liverpool, L69 3BX, United Kingdom
Molecular hydrogen storage by physisorption is appealing because it is reversible, cyclable, and sorbents exist which are tolerant to minor impurities such as water. Two significant drawbacks to hydrogen physisorption, however, are the low temperatures required and the associated system weight implications. To date, most hydrogen physisorption experiments have been conducted at 77.3 K because of the low average isosteric heat of sorption (4–7 kJ/mol) of hydrogen with most materials. Hence, there is a need to consider new hydrogen sorbents with substantially higher average isosteric heats which might store hydrogen at more practicable temperatures. In this paper we present ab initio calculations which suggest that “naked” fluorides may exhibit binding energies with hydrogen which are strong enough to allow persistent physisorption up to higher temperatures. The synthetic challenges associated with incorporating these idealized high energy “binding sites” into real materials will be discussed.

 

Hydrogen Storage and Fuel Cell Technology
1:10 PM-6:00 PM, Tuesday, August 21, 2007 Boston Park Plaza -- Cambridge Rm, Oral

Division of Fuel Chemistry

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007