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