Tuning mobility and stability of lithium ion conductors based on lattice dynamics

Influence of Lattice Polarizability on the Ionic Conductivity in the Lithium Superionic Argyrodites Li6PS5X (X = Cl, Br, I)

(2017) Marvin A. Kraft et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

All-solid-state secondary lithium battery using solid polymer electrolyte and anthraquinone cathode

(2017) Wangyu Li et al.   SOLID STATE IONICS

Origin of fast ion diffusion in super-ionic conductors

(2017) Xingfeng He et al.   Nature Communications

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

(2016) Zhi Deng et al.   CHEMISTRY OF MATERIALS

Lithium-excess olivine electrode for lithium rechargeable batteries

(2016) Kyu-Young Park et al.   Energy & Environmental Science

Can artificial intelligence create the next wonder material?

(2016) Nicola Nosengo   NATURE

Factors controlling oxygen migration barriers in perovskites

(2016) Tam T. Mayeshiba et al.   SOLID STATE IONICS

Electrochemical Stability of Li10 GeP2 S12 and Li7 La3 Zr2 O12 Solid Electrolytes

(2016) Fudong Han et al.   Advanced Energy Materials

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

A solid future for battery development

(2016) Jürgen Janek et al.   Nature Energy

High-power all-solid-state batteries using sulfide superionic conductors

(2016) Yuki Kato et al.   Nature Energy

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

(2015) John Christopher Bachman et al.   CHEMICAL REVIEWS

Computational Identification and Experimental Realization of Lithium Vacancy Introduction into the Olivine LiMgPO4

(2015) Leopoldo Enciso-Maldonado et al.   CHEMISTRY OF MATERIALS

Enhancement of Ionic Transport in Complex Oxides through Soft Lattice Modes and Epitaxial Strain

(2015) Xinyu Li et al.   CHEMISTRY OF MATERIALS

Rational Composition Optimization of the Lithium-Rich Li3OCl1–xBrx Anti-Perovskite Superionic Conductors

(2015) Zhi Deng et al.   CHEMISTRY OF MATERIALS

Interface Stability in Solid-State Batteries

(2015) William D. Richards et al.   CHEMISTRY OF MATERIALS

Lattice Dynamics Modified by Excess Oxygen in Nd2NiO4+δ: Triggering Low-Temperature Oxygen Diffusion

(2015) A. Perrichon et al.   Journal of Physical Chemistry C

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

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Garnet-type solid-state fast Li ion conductors for Li batteries: critical review

(2014) Venkataraman Thangadurai et al.   CHEMICAL SOCIETY REVIEWS

A sulphide lithium super ion conductor is superior to liquid ion conductors for use in rechargeable batteries

(2013) Yoshikatsu Seino et al.   Energy & Environmental Science

Air-stable, high-conduction solid electrolytes of arsenic-substituted Li4SnS4

(2013) Gayatri Sahu et al.   Energy & Environmental Science

Li10SnP2S12: An Affordable Lithium Superionic Conductor

(2013) Philipp Bron et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution

(2013) Alexis Grimaud et al.   Nature Communications

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

(2013) Anubhav Jain et al.   APL Materials

Multivariate Method-Assisted Ab Initio Study of Olivine-Type LiMXO4 (Main Group M2+–X5+ and M3+–X4+) Compositions as Potential Solid Electrolytes

(2012) Randy Jalem et al.   CHEMISTRY OF MATERIALS

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

Copper ion liquid-like thermoelectrics

(2012) Huili Liu et al.   NATURE MATERIALS

Screening of the alkali-metal ion containing materials from the Inorganic Crystal Structure Database (ICSD) for high ionic conductivity pathways using the bond valence method

(2012) Max Avdeev et al.   SOLID STATE IONICS

A lithium superionic conductor

(2011) Noriaki Kamaya et al.   NATURE MATERIALS

Particle Size Dependence of the Ionic Diffusivity

(2010) Rahul Malik et al.   NANO LETTERS

Challenges for Rechargeable Li Batteries†

(2009) John B. Goodenough et al.   CHEMISTRY OF MATERIALS

Lattice Dynamics To Trigger Low Temperature Oxygen Mobility in Solid Oxide Ion Conductors

(2008) Werner Paulus et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Building better batteries

(2008) M. Armand et al.   NATURE

Effects of O vacancies and N or Si substitutions onLi+migration inLi3PO4electrolytes from first principles

(2008) Yaojun A. Du et al.   PHYSICAL REVIEW B

SrTiO3andBaTiO3revisited using the projector augmented wave method: Performance of hybrid and semilocal functionals

(2008) Roman Wahl et al.   PHYSICAL REVIEW B