Magnesium ion dynamics in Mg(BH4)2(1−x)X2x(X = Cl or AlH4) from first-principles molecular dynamics simulations

Biased interface between solid ion conductor LiBH4 and lithium metal: A first principles molecular dynamics study

(2013) Tamio Ikeshoji et al.   APPLIED PHYSICS LETTERS

Unusual sevenfold coordination of Ru in complex hydride Na3RuH7: Prospect for formation of [FeH7]3– anion

(2013) Shigeyuki Takagi et al.   APPLIED PHYSICS LETTERS

A novel inorganic solid state ion conductor for rechargeable Mg batteries

(2013) Shougo Higashi et al.   CHEMICAL COMMUNICATIONS

Synthesis and crystal structure analysis of complex hydride Mg(BH4)(NH2)

(2013) Tatsuo Noritake et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Dehydrogenation properties and crystal structure analysis of Mg(BH4)(NH2)

(2013) Tatsuo Noritake et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Sodium and magnesium ionic conduction in complex hydrides

(2013) Motoaki Matsuo et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Halide Substitution in Magnesium Borohydride

(2012) Satoshi Hino et al.   Journal of Physical Chemistry C

Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. An insight into the structure of Mg(BH4)2

(2012) Riccarda Caputo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initio mass tensor molecular dynamics

(2011) Eiji Tsuchida   JOURNAL OF CHEMICAL PHYSICS

Hindered Rotational Energy Barriers of BH4– Tetrahedra in β-Mg(BH4)2 from Quasielastic Neutron Scattering and DFT Calculations

(2011) D. Blanchard et al.   Journal of Physical Chemistry C

van der Waals interactions in the ground state of Mg(BH4)2from density functional theory

(2011) A. Bil et al.   PHYSICAL REVIEW B

Fast-ionic conductivity of Li+in LiBH4

(2011) Tamio Ikeshoji et al.   PHYSICAL REVIEW B

Lithium-ion conduction in complex hydrides LiAlH4 and Li3AlH6

(2010) H. Oguchi et al.   JOURNAL OF APPLIED PHYSICS

Binding in alkali and alkaline-earth tetrahydroborates: Special position of magnesium tetrahydroborate

(2010) Zbigniew Łodziana et al.   PHYSICAL REVIEW B

Diffuse and doubly split atom occupation in hexagonal LiBH4

(2009) Tamio Ikeshoji et al.   APPLIED PHYSICS LETTERS

Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion

(2009) Yaroslav Filinchuk et al.   CHEMISTRY OF MATERIALS

Halide-Stabilized LiBH4, a Room-Temperature Lithium Fast-Ion Conductor

(2009) Hideki Maekawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Density Functional Study of α-Mg(BH4)2

(2008) Michiel J. van Setten et al.   CHEMISTRY OF MATERIALS

First-Principles Prediction of a Ground State Crystal Structure of Magnesium Borohydride

(2008) V. Ozolins et al.   PHYSICAL REVIEW LETTERS