title: The role of interstitial H2 in hydrogen diffusion in light metal borohydrides.
abstract: First principles calculations suggest that mobility of H in solid borohydrides is dominated by neutral interstitial H(2), not charged defects.
authors.affiliation: School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA 30332-0100, USA.
authors.forename: Shiqiang
authors.initials: S
authors.lastname: Hao
authors.forename: David S
authors.initials: DS
authors.lastname: Sholl