Li‐Ion Cooperative Migration and Oxy‐Sulfide Synergistic Effect in Li 14 P 2 Ge 2 S 16−6 x O x Solid‐State‐Electrolyte Enables Extraordinary Conductivity and High Stability

Lithium Chlorides and Bromides as Promising Solid-State Chemistries for Fast Ion Conductors with Good Electrochemical Stability

(2019) Shuo Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A High‐Throughput Search for Functionally Stable Interfaces in Sulfide Solid‐State Lithium Ion Conductors

(2019) William Fitzhugh et al.   Advanced Energy Materials

Superionic Diffusion through Frustrated Energy Landscape

(2019) Davide Di Stefano et al.   Chem

Motif-Based Design of an Oxysulfide Class of Lithium Superionic Conductors: Toward Improved Stability and Record-High Li-Ion Conductivity

(2019) Swastika Banerjee et al.   CHEMISTRY OF MATERIALS

Fundamentals of inorganic solid-state electrolytes for batteries

(2019) Theodosios Famprikis et al.   NATURE MATERIALS

Correlated Migration Invokes Higher Na + ‐Ion Conductivity in NaSICON‐Type Solid Electrolytes

(2019) Zhizhen Zhang et al.   Advanced Energy Materials

LiGaOS is a fast Li-Ion conductor: A first-principles prediction

(2019) Xueling Lei et al.   MATERIALS & DESIGN

Thermally Induced S-Sublattice Transition of Li3PS4 for Fast Lithium-Ion Conduction

(2018) Ji-Su Kim et al.   Journal of Physical Chemistry Letters

Oxysulfide LiAlSO: A Lithium Superionic Conductor from First Principles

(2017) Xuelong Wang et al.   PHYSICAL REVIEW LETTERS

Origin of fast ion diffusion in super-ionic conductors

(2017) Xingfeng He et al.   Nature Communications

Accessing the bottleneck in all-solid state batteries, lithium-ion transport over the solid-electrolyte-electrode interface

(2017) Chuang Yu et al.   Nature Communications

Recent advances in all-solid-state rechargeable lithium batteries

(2017) Chunwen Sun et al.   Nano Energy

Elastic Properties, Defect Thermodynamics, Electrochemical Window, Phase Stability, and Li+ Mobility of Li3PS4: Insights from First-Principles Calculations

(2016) Yanhan Yang et al.   ACS Applied Materials & Interfaces

Cation Mixing Properties toward Co Diffusion at the LiCoO2 Cathode/Sulfide Electrolyte Interface in a Solid-State Battery

(2016) Jun Haruyama et al.   ACS Applied Materials & Interfaces

Role of Dynamically Frustrated Bond Disorder in a Li+ Superionic Solid Electrolyte

(2016) Nicole Adelstein et al.   CHEMISTRY OF MATERIALS

Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors

(2016) Zhi Deng et al.   CHEMISTRY OF MATERIALS

All-solid-state lithium batteries with inorganic solid electrolytes: Review of fundamental science

(2016) Xiayin Yao et al.   Chinese Physics B

Design of Li1+2xZn1−xPS4, a new lithium ion conductor

(2016) William D. Richards et al.   Energy & Environmental Science

Oxygen substitution effects in Li 10 GeP 2 S 12 solid electrolyte

(2016) Yulong Sun et al.   JOURNAL OF POWER SOURCES

Oxygen-driven transition from two-dimensional to three-dimensional transport behaviour in β-Li3PS4 electrolyte

(2016) Xuelong Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries

(2016) Yizhou Zhu et al.   Journal of Materials Chemistry A

The pursuit of solid-state electrolytes for lithium batteries: from comprehensive insight to emerging horizons

(2016) Renjie Chen et al.   Materials Horizons

The thermodynamic scale of inorganic crystalline metastability

(2016) W. Sun et al.   Science Advances

Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction

(2015) John Christopher Bachman et al.   CHEMICAL REVIEWS

Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor

(2015) Zhuoying Zhu et al.   CHEMISTRY OF MATERIALS

Li 3 PO 4 -doped Li 7 P 3 S 11 glass-ceramic electrolytes with enhanced lithium ion conductivities and application in all-solid-state batteries

(2015) Bingxin Huang et al.   JOURNAL OF POWER SOURCES

Structural and Mechanistic Insights into Fast Lithium-Ion Conduction in Li4SiO4–Li3PO4 Solid Electrolytes

(2015) Yue Deng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design principles for solid-state lithium superionic conductors

(2015) Yan Wang et al.   NATURE MATERIALS

High-throughput design and optimization of fast lithium ion conductors by the combination of bond-valence method and density functional theory

(2015) Ruijuan Xiao et al.   Scientific Reports

The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies

(2015) Scott Kirklin et al.   npj Computational Materials

Structural Evolution and Li Dynamics in Nanophase Li3PS4 by Solid-State and Pulsed-Field Gradient NMR

(2014) Mallory Gobet et al.   CHEMISTRY OF MATERIALS

Structures, Thermodynamics, and Li+ Mobility of Li10GeP2S12: A First-Principles Analysis

(2014) Fuming Du et al.   Journal of Physical Chemistry C

Development of Electrolytes towards Achieving Safe and High-Performance Energy-Storage Devices: A Review

(2014) Yu Wang et al.   ChemElectroChem

Lithium Superionic Sulfide Cathode for All-Solid Lithium–Sulfur Batteries

(2013) Zhan Lin et al.   ACS Nano

Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries

(2013) Siqi Shi et al.   Journal of Physical Chemistry C

Anomalous High Ionic Conductivity of Nanoporous β-Li3PS4

(2013) Zengcai Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structures, Li+mobilities, and interfacial properties of solid electrolytes Li3PS4and Li3PO4from first principles

(2013) N. D. Lepley et al.   PHYSICAL REVIEW B

Nitrogen-doped layered oxide Sr5Ta4O15−xNx for water reduction and oxidation under visible light irradiation

(2013) Shanshan Chen et al.   Journal of Materials Chemistry A

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12(M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors

(2012) Shyue Ping Ong et al.   Energy & Environmental Science

Superionic Conductivity in Lithium-Rich Anti-Perovskites

(2012) Yusheng Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase

(2012) Siqi Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material

(2011) Yifei Mo et al.   CHEMISTRY OF MATERIALS

Ion transport and phase transition in Li7−xLa3(Zr2−xMx)O12(M = Ta5+, Nb5+, x = 0, 0.25)

(2011) Stefan Adams et al.   JOURNAL OF MATERIALS CHEMISTRY

An inorganic membrane as a separator for lithium-ion battery

(2011) Hongfa Xiang et al.   JOURNAL OF POWER SOURCES

A lithium superionic conductor

(2011) Noriaki Kamaya et al.   NATURE MATERIALS

Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations

(2010) Shyue Ping Ong et al.   ELECTROCHEMISTRY COMMUNICATIONS

Crystal structure and phase transitions of the lithium ionic conductor Li3PS4

(2010) Kenji Homma et al.   SOLID STATE IONICS

Li−Fe−P−O2 Phase Diagram from First Principles Calculations

(2008) Shyue Ping Ong et al.   CHEMISTRY OF MATERIALS