Computational screening and first-principles investigations of NASICON-type LixM2(PO4)3 as solid electrolytes for Li batteries

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

(2016) Renjie Chen et al.   Materials Horizons

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

(2015) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Integrated study of first principles calculations and experimental measurements for Li-ionic conductivity in Al-doped solid-state LiGe 2 (PO 4 ) 3 electrolyte

(2015) Joonhee Kang et al.   JOURNAL OF POWER SOURCES

Amorphous Na2Si2O5 as a fast Na+ conductor: an ab initio molecular dynamics simulation

(2015) Xueling Lei et al.   Journal of Materials Chemistry A

Electrolytes and Interphases in Li-Ion Batteries and Beyond

(2014) Kang Xu   CHEMICAL REVIEWS

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

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

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

First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material

(2011) Yifei Mo et al.   CHEMISTRY OF MATERIALS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A wide-ranging review on Nasicon type materials

(2011) N. Anantharamulu et al.   JOURNAL OF MATERIALS SCIENCE

High-throughput electronic band structure calculations: Challenges and tools

(2010) Wahyu Setyawan et al.   COMPUTATIONAL MATERIALS SCIENCE

Ring statistics analysis of topological networks: New approach and application to amorphous GeS2 and SiO2 systems

(2010) Sébastien Le Roux et al.   COMPUTATIONAL MATERIALS SCIENCE

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

(2010) Shyue Ping Ong et al.   ELECTROCHEMISTRY COMMUNICATIONS

NASICON-Structured LiGe2(PO4)3 with Improved Cyclability for High-Performance Lithium Batteries

(2009) Jinkui Feng et al.   Journal of Physical Chemistry C

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

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

Building better batteries

(2008) M. Armand et al.   NATURE