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     COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
AND THE SCHOOL OF PHYSICS, ASTRONOMY, & COMPUTATIONAL SCIENCES
                            (CSI 898-Sec 001)
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      Hydrogen storage in carbon-based materials
 
                       Xianwei Sha 
      Computational Materials Science Center and SPACS
          George Mason University, Fairfax, VA
 
One of the grand challenges for a successful development of the incipient
‘‘hydrogen economy’’ is the discovery of materials with high reversible
hydrogen storage capacities under conditions of temperature and pressure
conducive to application in practical hydrogen storage systems.  Among
potential hydrogen storage materials, carbon-based materials are of particular
interest due to the potential for inexpensive storage media with a wide
variety of structural forms.  Using density functional theory, we investigated
the mechanisms of several different techniques to improve the hydrogen storage
capacities in carbon based materials, including hydrogen spillover, fluoride
intercalation, and boron substitution.

                       Monday, February 13, 2012
                               4:30 pm
                    Room 301, Research I, Fairfax Campus

Refreshments will be served at 4:15 PM.
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Find the schedule at http://www.cmasc.gmu.edu/seminar/schedule.html