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First-principles study on defect chemistry and migration of oxide ions in ceria doped with rare-earth cations

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (17), p.3241-3249

2009

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High-capacity electrode materials for rechargeable lithium batteries: Li₃NbO₄-based system with cation-disordered rocksalt structure

Proceedings of the National Academy of Sciences - PNAS, 2015-06, Vol.112 (25), p.7650-7655

2015

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Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries

Nature communications, 2016-12, Vol.7 (1), p.13814-13814, Article 13814

2016

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Density functional studies of olivine-type LiFePO4 and NaFePO4 as positive electrode materials for rechargeable lithium and sodium ion batteries

Solid state ionics, 2016-03, Vol.286, p.40-44

2016

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Non-equilibrium molecular dynamics study on atomistic origin of grain boundary resistivity in NASICON-type Li-ion conductor

Acta materialia, 2022-03, Vol.226, p.117596, Article 117596

2022

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Electrode potential influences the reversibility of lithium-metal anodes

Nature energy, 2022-12, Vol.7 (12), p.1217-1224

2022

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Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li7La3Zr2O12

Chemistry of materials, 2013-02, Vol.25 (3), p.425-430

2013

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Understanding the ionic conductivity maximum in doped ceria: trapping and blocking

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (21), p.14291-14321

2018

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Catalytic mechanism of spinel oxides for oxidative electrolyte decomposition in Mg rechargeable batteries

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-11, Vol.9 (46), p.2641-2649

2021

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Structure Design of Long‐Life Spinel‐Oxide Cathode Materials for Magnesium Rechargeable Batteries

Advanced materials (Weinheim), 2021-02, Vol.33 (7), p.e2007539-n/a

2021

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Understanding the Structural Evolution and Redox Mechanism of a NaFeO2-NaCoO2 Solid Solution for Sodium-Ion Batteries

Advanced functional materials, 2016-09, Vol.26 (33), p.6047-6059

2016

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Control of Electrolyte Decomposition by Mixing Transition Metal Ions in Spinel Oxides as Positive Electrode Active Materials for Mg Rechargeable Batteries

Journal of physical chemistry. C, 2022-11, Vol.126 (45), p.19074-19083

2022

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Chloride electrode composed of ubiquitous elements for high-energy-density all-solid-state sodium-ion batteries

Scientific reports, 2024-02, Vol.14 (1), p.2703-2703, Article 2703

2024

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Molecular Dynamics Simulation of Li-Ion Conduction at Grain Boundaries in NASICON-Type LiZr2(PO4)3 Solid Electrolytes

Journal of physical chemistry. C, 2021-11, Vol.125 (43), p.23604-23612

2021

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Characterization of a Novel Chloride Li-ion Conductor Li2LuCl5

Electrochemistry, 2023/11/21, Vol.91(11), pp.117004-117004

2023

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Factors affecting cyclic durability of all-solid-state lithium polymer batteries using poly(ethylene oxide)-based solid polymer electrolytes

Energy & environmental science, 2010-01, Vol.3 (12), p.1995-22

2010

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Informatics-Aided Density Functional Theory Study on the Li Ion Transport of Tavorite-Type LiMTO4F (M3+–T5+, M2+–T6+)

Journal of chemical information and modeling, 2015-06

2015

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An efficient rule-based screening approach for discovering fast lithium ion conductors using density functional theory and artificial neural networks

Journal of materials chemistry. A, Materials for energy and sustainability, 2014-01, Vol.2 (3), p.720-734

2014

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Screening chloride Li‐ion conductors using high‐throughput force‐field molecular dynamics

Journal of the American Ceramic Society, 2023-05, Vol.106 (5), p.3035-3044

2023

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High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO3‑Type Polar Titanate ZnTiO3 and Its Reinforced Polarity by the Second-Order Jahn–Teller Effect

Journal of the American Chemical Society, 2014-02, Vol.136 (7), p.2748-2756

2014

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Kinetic square scheme in oxygen-redox battery electrodes

Energy & environmental science, 2022-06, Vol.15 (6), p.2591-26

2022

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Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes

Chemistry of materials, 2015-04, Vol.27 (8), p.2821-2831

2015

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Activation and stabilization mechanisms of anionic redox for Li storage applications: Joint experimental and theoretical study on Li2TiO3–LiMnO2 binary system

Materials today (Kidlington, England), 2020-07, Vol.37, p.43-55

2020

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Computational and Experimental Investigation of the Electrochemical Stability and Li-Ion Conduction Mechanism of LiZr2(PO4)3

Chemistry of materials, 2017-11, Vol.29 (21), p.8983-8991

2017

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Novel Mg-ion conductive oxide of μ-cordierite Mg0.6Al1.2Si1.8O6

Science and technology of advanced materials, 2020-01, Vol.21 (1), p.131-138

2020

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First-principles study on defect chemistry and migration of oxide ions in ceria doped with rare-earth cations

High-capacity electrode materials for rechargeable lithium batteries: Li₃NbO₄-based system with cation-disordered rocksalt structure

Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries

Density functional studies of olivine-type LiFePO4 and NaFePO4 as positive electrode materials for rechargeable lithium and sodium ion batteries

Non-equilibrium molecular dynamics study on atomistic origin of grain boundary resistivity in NASICON-type Li-ion conductor

Electrode potential influences the reversibility of lithium-metal anodes

Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li7La3Zr2O12

Understanding the ionic conductivity maximum in doped ceria: trapping and blocking

Catalytic mechanism of spinel oxides for oxidative electrolyte decomposition in Mg rechargeable batteries

Structure Design of Long‐Life Spinel‐Oxide Cathode Materials for Magnesium Rechargeable Batteries

Understanding the Structural Evolution and Redox Mechanism of a NaFeO2-NaCoO2 Solid Solution for Sodium-Ion Batteries

Control of Electrolyte Decomposition by Mixing Transition Metal Ions in Spinel Oxides as Positive Electrode Active Materials for Mg Rechargeable Batteries

Chloride electrode composed of ubiquitous elements for high-energy-density all-solid-state sodium-ion batteries

Molecular Dynamics Simulation of Li-Ion Conduction at Grain Boundaries in NASICON-Type LiZr2(PO4)3 Solid Electrolytes

Characterization of a Novel Chloride Li-ion Conductor Li2LuCl5

Factors affecting cyclic durability of all-solid-state lithium polymer batteries using poly(ethylene oxide)-based solid polymer electrolytes

Informatics-Aided Density Functional Theory Study on the Li Ion Transport of Tavorite-Type LiMTO4F (M3+–T5+, M2+–T6+)

An efficient rule-based screening approach for discovering fast lithium ion conductors using density functional theory and artificial neural networks

Screening chloride Li‐ion conductors using high‐throughput force‐field molecular dynamics

High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO3‑Type Polar Titanate ZnTiO3 and Its Reinforced Polarity by the Second-Order Jahn–Teller Effect

Kinetic square scheme in oxygen-redox battery electrodes

Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes

Activation and stabilization mechanisms of anionic redox for Li storage applications: Joint experimental and theoretical study on Li2TiO3–LiMnO2 binary system

Computational and Experimental Investigation of the Electrochemical Stability and Li-Ion Conduction Mechanism of LiZr2(PO4)3

Novel Mg-ion conductive oxide of μ-cordierite Mg0.6Al1.2Si1.8O6

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