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Ionic conductivity enhancement by particle size reduction in Li2FeSiO4

Materials letters, 2018-05, Vol.218, p.313-316

Vajeeston, P.

2018

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Nonhexagonal Na Sublattice Reconstruction in the Super-Ionic Conductor Na2Zn2TeO6: Insights from Ab Initio Molecular Dynamics

Journal of physical chemistry. C, 2019-02, Vol.123 (8), p.4654-4663

2019

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First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs

RSC advances, 2017-01, Vol.7 (27), p.16843-16853

2017

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First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (22), p.14462-14470

2017

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A first principle comparative study of the ionic diffusivity in LiAlO2 and NaAlO2 polymorphs for solid-state battery applications

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (15), p.9824-9832

2018

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Bonding mechanism and magnetic ordering in Laves phase λ1−MgCo2 intermetallic compound from theoretical and experimental studies

Scripta materialia, 2023-12, Vol.237, p.115709, Article 115709

2023

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A first-principle investigation of the Li diffusion mechanism in the super-ionic conductor lithium orthothioborate Li3BS3 structure

Materials letters, 2018-05, Vol.219, p.186-189

2018

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Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl

Journal of physical chemistry. C, 2011-12, Vol.115 (47), p.23591-23602

2011

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Search for potential precursors for Si-atomic layer deposition – A quantum chemical study

Materials letters, 2018-04, Vol.216, p.189-192

2018

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Anisotropy of the proton kinetic energy in ice Ih

Surface science, 2019-01, Vol.679, p.174-179

2019

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A first principle comparative study of the ionic diffusivity in LiAlO 2 and NaAlO 2 polymorphs for solid-state battery applications

Physical chemistry chemical physics : PCCP, 2018-04, Vol.20 (15), p.9824-9832

2018

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Phase stability, electronic structure, and optical properties of indium oxide polytypes

Physical review. B, Condensed matter and materials physics, 2007-08, Vol.76 (7), Article 075129

2007

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First-principles study of the structural stability and electrochemical properties of Na 2 MSiO 4 (M = Mn, Fe, Co and Ni) polymorphs

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (22), p.14462-14470

2017

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Structural stability of alkali boron tetrahydrides ABH4 (A = Li, Na, K, Rb, Cs) from first principle calculation

Journal of alloys and compounds, 2005-01, Vol.387 (1-2), p.97-104

2005

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Influence of Crystal Structure of Bulk Phase on the Stability of Nanoscale Phases: Investigation on MgH2 Derived Nanostructures

Journal of physical chemistry. C, 2012-09, Vol.116 (35), p.18965-18972

2012

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Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO2 and CuBO2 families (B = Al, Ga, In and Sc, Y)

2015-01

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Ionic conductivity enhancement by particle size reduction in Li^sub 2^FeSiO^sub 4

Materials letters, 2018-05, Vol.218, p.313

Vajeeston, P

2018

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Pressure-induced structural transitions in MgH2

Physical review letters, 2002-10, Vol.89 (17), p.175506-175506

2002

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Phonon, IR, and Raman Spectra, NMR Parameters, and Elastic Constant Calculations for AlH3 Polymorphs

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (39), p.10708-10719

2011

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Theoretical investigations on low energy surfaces and nanowires of MgH2

Nanotechnology, 2008-07, Vol.19 (27), p.275704-275704 (6)

2008

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Pressure-induced phase of NaAlH4: A potential candidate for hydrogen storage?

Applied physics letters, 2003-04, Vol.82 (14), p.2257-2259

2003

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MgH2 in Carbon Scaffolds: A Combined Experimental and Theoretical Investigation

Journal of physical chemistry. C, 2012-10, Vol.116 (40), p.21139-21147

2012

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Theoretical investigations on low energy surfaces and nanowires of MgH 2

Nanotechnology, 2008-07, Vol.19 (27), p.275704

2008

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First-principles investigations of the MMgH3 (M = Li, Na, K, Rb, Cs) series

Journal of alloys and compounds, 2008-02, Vol.450 (1-2), p.327-337

2008

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Novel High Pressure Phases of β-AlH3: A Density-Functional Study

Chemistry of materials, 2008-10, Vol.20 (19), p.5997-6002

2008

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Ionic conductivity enhancement by particle size reduction in Li2FeSiO4

Nonhexagonal Na Sublattice Reconstruction in the Super-Ionic Conductor Na2Zn2TeO6: Insights from Ab Initio Molecular Dynamics

First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs

First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs

A first principle comparative study of the ionic diffusivity in LiAlO2 and NaAlO2 polymorphs for solid-state battery applications

Bonding mechanism and magnetic ordering in Laves phase λ1−MgCo2 intermetallic compound from theoretical and experimental studies

A first-principle investigation of the Li diffusion mechanism in the super-ionic conductor lithium orthothioborate Li3BS3 structure

Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl

Search for potential precursors for Si-atomic layer deposition – A quantum chemical study

Anisotropy of the proton kinetic energy in ice Ih

A first principle comparative study of the ionic diffusivity in LiAlO 2 and NaAlO 2 polymorphs for solid-state battery applications

Phase stability, electronic structure, and optical properties of indium oxide polytypes

First-principles study of the structural stability and electrochemical properties of Na 2 MSiO 4 (M = Mn, Fe, Co and Ni) polymorphs

Structural stability of alkali boron tetrahydrides ABH4 (A = Li, Na, K, Rb, Cs) from first principle calculation

Influence of Crystal Structure of Bulk Phase on the Stability of Nanoscale Phases: Investigation on MgH2 Derived Nanostructures

Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO2 and CuBO2 families (B = Al, Ga, In and Sc, Y)

Ionic conductivity enhancement by particle size reduction in Li^sub 2^FeSiO^sub 4

Pressure-induced structural transitions in MgH2

Phonon, IR, and Raman Spectra, NMR Parameters, and Elastic Constant Calculations for AlH3 Polymorphs

Theoretical investigations on low energy surfaces and nanowires of MgH2

Pressure-induced phase of NaAlH4: A potential candidate for hydrogen storage?

MgH2 in Carbon Scaffolds: A Combined Experimental and Theoretical Investigation

Theoretical investigations on low energy surfaces and nanowires of MgH 2

First-principles investigations of the MMgH3 (M = Li, Na, K, Rb, Cs) series

Novel High Pressure Phases of β-AlH3: A Density-Functional Study

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