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First-Principles Prediction of Thermodynamically Reversible Hydrogen Storage Reactions in the Li-Mg-Ca-B-H System

Journal of the American Chemical Society, 2009-01, Vol.131 (1), p.230-237

2009

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Controlling the Decomposition Pathway of LiBH4 via Confinement in Highly Ordered Nanoporous Carbon

Journal of physical chemistry. C, 2010-08, Vol.114 (33), p.14036-14041

2010

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Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates

Journal of alloys and compounds, 2004-07, Vol.375 (1-2), p.1-10

2004

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Titanium–halide catalyst-precursors in sodium aluminum hydrides

Journal of alloys and compounds, 2003-08, Vol.356-357, p.363-367

2003

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Metastability and crystal structure of the bialkali complex metal borohydride NaK(BH 4) 2

Journal of alloys and compounds, 2009-05, Vol.476 (1), p.446-450

2009

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First-principles prediction of a ground state crystal structure of magnesium borohydride

Physical review letters, 2008-04, Vol.100 (13), p.135501-135501, Article 135501

2008

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XRD and NMR investigation of Ti-compound formation in solution-doping of sodium aluminum hydrides: solubility of Ti in NaAlH4 crystals grown in THF

Journal of alloys and compounds, 2005-05, Vol.394 (1-2), p.265-270

2005

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Effects of a Carbon Surface Environment on the Decomposition Properties of Nanoparticle LiBH4: A First-Principles Study

Journal of physical chemistry. C, 2014-05, Vol.118 (17), p.8852-8858

2014

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Surface-Functionalized Nanoporous Carbons for Kinetically Stabilized Complex Hydrides through Lewis Acid–Lewis Base Chemistry

Journal of physical chemistry. C, 2016-06, Vol.120 (21), p.11426-11432

2016

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The effects of titanium precursors on hydriding properties of alanates

Journal of alloys and compounds, 2003-08, Vol.356-357, p.423-428

2003

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Crystal Structures of Calcium Borohydride: Theory and Experiment

Journal of physical chemistry. C, 2009-02, Vol.113 (8), p.3352-3358

2009

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Prototype electrostatic ground state approach to predicting crystal structures of ionic compounds: Application to hydrogen storage materials

Physical review. B, Condensed matter and materials physics, 2008-03, Vol.77 (10), Article 104115

2008

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First-Principles Study of Novel Conversion Reactions for High-Capacity Li-Ion Battery Anodes in the Li–Mg–B–N–H System

Journal of physical chemistry. C, 2011-08, Vol.115 (33), p.16681-16687

2011

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LiSc(BH4)4 as a Hydrogen Storage Material: Multinuclear High-Resolution Solid-State NMR and First-Principles Density Functional Theory Studies

Journal of physical chemistry. C, 2009-06, Vol.113 (22), p.9956-9968

2009

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First-Principles Study of Structural Prototypes for NaAlH4: Elevated Pressure Polymorph in Symmetry Fmm2 Leads to a Single-Step Decomposition Pathway

Journal of physical chemistry. C, 2013-05, Vol.117 (17), p.8864-8870

2013

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NMR Study of Anion Dynamics in Solid KAlH4

Journal of physical chemistry. C, 2014-03, Vol.118 (11), p.5725-5732

2014

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Density Functional Theory of MH–MOH Solid Solubility (M = Alkali) and Experiments in NaH–NaOH

Journal of physical chemistry. C, 2015-04, Vol.119 (15), p.8062-8069

2015

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Effects of NaOH in Solid NaH: Solution/Segregation Phase Transition and Diffusion Acceleration

Journal of physical chemistry. C, 2013-11, Vol.117 (45), p.23575-23581

2013

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Gaseous hydrogen charging of Zr–Cu–Ni–Al glasses and quasicrystals

Journal of alloys and compounds, 2004-10, Vol.379 (1-2), p.16-22

2004

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Evolution of the local structure with hydrogenation in Ti-Zr-Ni quasicrystals and approximants

Journal of physics. Condensed matter, 2002-07, Vol.14 (25), p.6413-6426, Article 310

2002

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Local structure in hydrogenated Ti–Zr–Ni quasicrystals and approximants

Journal of alloys and compounds, 2003-08, Vol.356-357, p.96-99

2003

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First-principles computational discovery of materials for hydrogen storage

Journal of physics. Conference series, 2009-07, Vol.180 (1), p.012076

2009

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Effects of a Carbon Surface Environment on the Decomposition Properties of Nanoparticle LiBH 4 : A First-Principles Study

Journal of physical chemistry. C, 2014-05, Vol.118 (17), p.8852-8858

2014

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Improvement of Hydrogen Storage Properties of Mg1-xPrxNi4 by Changing Mg/Pr Ratio

Journal of Smart Processing, 2014/11/20, Vol.3(6), pp.359-366

2014

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Tailoring the hydrogen storage properties of Li4BN3H10 by confinement into highly ordered nanoporous carbon

Journal of materials chemistry. A, Materials for energy and sustainability, 2013, Vol.1 (12), p.3926

2013

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First-Principles Prediction of Thermodynamically Reversible Hydrogen Storage Reactions in the Li-Mg-Ca-B-H System

Controlling the Decomposition Pathway of LiBH4 via Confinement in Highly Ordered Nanoporous Carbon

Electronic structure and Rietveld refinement parameters of Ti-doped sodium alanates

Titanium–halide catalyst-precursors in sodium aluminum hydrides

Metastability and crystal structure of the bialkali complex metal borohydride NaK(BH 4) 2

First-principles prediction of a ground state crystal structure of magnesium borohydride

XRD and NMR investigation of Ti-compound formation in solution-doping of sodium aluminum hydrides: solubility of Ti in NaAlH4 crystals grown in THF

Effects of a Carbon Surface Environment on the Decomposition Properties of Nanoparticle LiBH4: A First-Principles Study

Surface-Functionalized Nanoporous Carbons for Kinetically Stabilized Complex Hydrides through Lewis Acid–Lewis Base Chemistry

The effects of titanium precursors on hydriding properties of alanates

Crystal Structures of Calcium Borohydride: Theory and Experiment

Prototype electrostatic ground state approach to predicting crystal structures of ionic compounds: Application to hydrogen storage materials

First-Principles Study of Novel Conversion Reactions for High-Capacity Li-Ion Battery Anodes in the Li–Mg–B–N–H System

LiSc(BH4)4 as a Hydrogen Storage Material: Multinuclear High-Resolution Solid-State NMR and First-Principles Density Functional Theory Studies

First-Principles Study of Structural Prototypes for NaAlH4: Elevated Pressure Polymorph in Symmetry Fmm2 Leads to a Single-Step Decomposition Pathway

NMR Study of Anion Dynamics in Solid KAlH4

Density Functional Theory of MH–MOH Solid Solubility (M = Alkali) and Experiments in NaH–NaOH

Effects of NaOH in Solid NaH: Solution/Segregation Phase Transition and Diffusion Acceleration

Gaseous hydrogen charging of Zr–Cu–Ni–Al glasses and quasicrystals

Evolution of the local structure with hydrogenation in Ti-Zr-Ni quasicrystals and approximants

Local structure in hydrogenated Ti–Zr–Ni quasicrystals and approximants

First-principles computational discovery of materials for hydrogen storage

Effects of a Carbon Surface Environment on the Decomposition Properties of Nanoparticle LiBH 4 : A First-Principles Study

Improvement of Hydrogen Storage Properties of Mg1-xPrxNi4 by Changing Mg/Pr Ratio

Tailoring the hydrogen storage properties of Li4BN3H10 by confinement into highly ordered nanoporous carbon

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