Performing quantum calculations on a supercomputer, scientists atPacific Northwest National Laboratory have characterized a materialthat might allow on-board refueling of hydrogen powered vehicles.
Researchers, led by Maciej Gutowski, looked at different crystallinestructures of a compound made up of nitrogen, boron and hydrogen - NBH6- and found one that might be more stable compared to ammonia borane, amolecular crystal built of NH3BH3 molecules. Ammonia borane can hold alot of hydrogen but isn't easily reversible -- able to be refilled withhydrogen. Ammonia borane, as a storage material, would likely have tobe removed from the vehicle and be sent to some sort of processingplant and undergo a reaction to be refilled.
The more stable compound, diammoniate of diborane or DADB, holds morepromise for reversibility. Initial thermodynamic properties for thecompound indicate that it might spontaneously uptake hydrogen fuel.
This work is performed under the Grand Challenge Project "Computationalstudies of materials to hydrogen storage" in the Molecular SciencesComputing Facility at PNNL. Researchers plan to perform additionalcalculations, synthesize the diammoniate of diborane compound and testtheir theories on the material in the coming year
Pacific Northwest NationalLaboratory researcher Maciej Gutowski will be presenting his results atthe 230th national meeting of the American Chemical Society 8:40 a.m.,Monday, Aug. 29
Cite This Page: