First principle study of strain effect on structural and dehydrogenation properties of complex hydride LiBH4
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Hydrogen Energy"
DOI: 10.1016/j.ijhydene.2017.06.068
Abstract: Using the first-principles calculations based on density functional theory (DFT), the structure, stability, thermodynamic and kinetic properties of complex hydride LiBH4 under different biaxial strains have been investigated. The results show that the free strain… read more here.
Keywords: first principle; complex hydride; hydride libh4; libh4 ... See more keywords
Fast sodium ionic conduction in Na2B10H10-Na2B12H12 pseudo-binary complex hydride and application to a bulk-type all-solid-state battery
Sign Up to like & getrecommendations! Published in 2017 at "Applied Physics Letters"
DOI: 10.1063/1.4977885
Abstract: In the present work, we developed highly sodium-ion conductive Na2B10H10-Na2B12H12 pseudo-binary complex hydride via mechanically ball-milling admixtures of the pure Na2B10H10 and Na2B12H12 components. Both of these components show a monoclinic phase at room temperature,… read more here.
Keywords: complex hydride; binary complex; na2b12h12 pseudo; pseudo binary ... See more keywords