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Kinetics of non-equilibrium lithium incorporation in LiFePO4

Nature materials, 2011-07, Vol.10 (8), p.587-590

2011

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Cation-disordered rocksalt transition metal oxides and oxyfluorides for high energy lithium-ion cathodes

Energy & environmental science, 2020-01, Vol.13 (2), p.345-373

2020

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Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature

Journal of chemical information and modeling, 2019-09, Vol.59 (9), p.3692-3702

2019

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Efficient band gap prediction for solids

Physical review letters, 2010-11, Vol.105 (19), p.196403-196403, Article 196403

2010

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Li diffusion in LiCoO2 thin films prepared by pulsed laser deposition

Journal of power sources, 2006-09, Vol.159 (2), p.1422-1427

2006

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A First-Principles Approach to Studying the Thermal Stability of Oxide Cathode Materials

Chemistry of materials, 2007-02, Vol.19 (3), p.543-552

2007

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New Insight on the Unusually High Ionic Mobility in Chevrel Phases

Chemistry of materials, 2009-04, Vol.21 (7), p.1390-1399

2009

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The effect of lattice vibrations on substitutional alloy thermodynamics

Reviews of modern physics, 2002-01, Vol.74 (1), p.11-45

2002

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Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

Physical review. B, Condensed matter and materials physics, 2010-08, Vol.82 (7), p.075122, Article 075122

2010

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First-principles prediction of redox potentials in transition-metal compounds with LDA+U

Physical review. B, Condensed matter and materials physics, 2004-12, Vol.70 (23), p.235121.1-235121.8, Article 235121

2004

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A Combined Computational/Experimental Study on LiNi1/3Co1/3Mn1/3O2

Chemistry of materials, 2003-09, Vol.15 (19), p.3676-3682

2003

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High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability

Physical review. B, Condensed matter and materials physics, 2014-04, Vol.89 (13), p.134103, Article 134103

2014

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Recharging lithium battery research with first-principles methods

MRS bulletin, 2011-03, Vol.36 (3), p.185-191

2011

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The alloy theoretic automated toolkit: A user guide

Calphad, 2002-12, Vol.26 (4), p.539-553

2002

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The thermodynamic stability of intermediate solid solutions in LiFePO4 nanoparticles

Journal of materials chemistry. A, Materials for energy and sustainability, 2016-01, Vol.4 (15), p.5436-5447

2016

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Response to “unsupported claims of ultrafast charging of Li-ion batteries”

Journal of power sources, 2009-12, Vol.194 (2), p.1024-1028

2009

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Phase Stability of Nickel Hydroxides and Oxyhydroxides

Journal of the Electrochemical Society, 2006, Vol.153 (2), p.A210

2006

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Lithium diffusion mechanisms in layered intercalation compounds

Journal of power sources, 2001-07, Vol.97, p.529-531

2001

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First-principles study of native point defects in ZnO

Physical review. B, Condensed matter, 2000-06, Vol.61 (22), p.15019-15027

2000

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Challenges for Na-ion Negative Electrodes

Journal of the Electrochemical Society, 2011, Vol.158 (9), p.A1011

2011

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In-Situ X-ray Absorption Spectroscopic Study on Variation of Electronic Transitions and Local Structure of LiNi1/3Co1/3Mn1/3O2 Cathode Material during Electrochemical Cycling

Chemistry of materials, 2005-06, Vol.17 (12), p.3191-3199

2005

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Automating first-principles phase diagram calculations

Journal of Phase Equilibria, 2002-08, Vol.23 (4), p.348-359

2002

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Structural stability of lithium manganese oxides

Physical review. B, Condensed matter, 1999-03, Vol.59 (9), p.6120-6130

1999

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Surface segregation and ordering of alloy surfaces in the presence of adsorbates

Physical review. B, Condensed matter and materials physics, 2005-11, Vol.72 (20), p.205409.1-205409.9, Article 205409

2005

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First principles calculation of the interdiffusion coefficient in binary alloys

Physical review letters, 2005-02, Vol.94 (4), p.045901.1-045901.4, Article 045901

2005

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Kinetics of non-equilibrium lithium incorporation in LiFePO4

Cation-disordered rocksalt transition metal oxides and oxyfluorides for high energy lithium-ion cathodes

Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature

Efficient band gap prediction for solids

Li diffusion in LiCoO2 thin films prepared by pulsed laser deposition

A First-Principles Approach to Studying the Thermal Stability of Oxide Cathode Materials

New Insight on the Unusually High Ionic Mobility in Chevrel Phases

The effect of lattice vibrations on substitutional alloy thermodynamics

Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

First-principles prediction of redox potentials in transition-metal compounds with LDA+U

A Combined Computational/Experimental Study on LiNi1/3Co1/3Mn1/3O2

High-throughput screening of perovskite alloys for piezoelectric performance and thermodynamic stability

Recharging lithium battery research with first-principles methods

The alloy theoretic automated toolkit: A user guide

The thermodynamic stability of intermediate solid solutions in LiFePO4 nanoparticles

Response to “unsupported claims of ultrafast charging of Li-ion batteries”

Phase Stability of Nickel Hydroxides and Oxyhydroxides

Lithium diffusion mechanisms in layered intercalation compounds

First-principles study of native point defects in ZnO

Challenges for Na-ion Negative Electrodes

In-Situ X-ray Absorption Spectroscopic Study on Variation of Electronic Transitions and Local Structure of LiNi1/3Co1/3Mn1/3O2 Cathode Material during Electrochemical Cycling

Automating first-principles phase diagram calculations

Structural stability of lithium manganese oxides

Surface segregation and ordering of alloy surfaces in the presence of adsorbates

First principles calculation of the interdiffusion coefficient in binary alloys

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