Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes

Reversible Mn2+/Mn4+ double redox in lithium-excess cathode materials

(2018) Jinhyuk Lee et al.   NATURE

Efficient first-principles prediction of solid stability: Towards chemical accuracy

(2018) Yubo Zhang et al.   npj Computational Materials

Reversible Li storage for nanosize cation/anion-disordered rocksalt-type oxyfluorides: LiMoO 2 – x LiF (0 ≤ x ≤ 2) binary system

(2017) Nanami Takeda et al.   JOURNAL OF POWER SOURCES

Residual Lithium Carbonate Predominantly Accounts for First Cycle CO2 and CO Outgassing of Li-Stoichiometric and Li-Rich Layered Transition-Metal Oxides

(2017) Sara E. Renfrew et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides

(2017) Alexander Urban et al.   PHYSICAL REVIEW LETTERS

High-efficiency in situ resonant inelastic x-ray scattering (iRIXS) endstation at the Advanced Light Source

(2017) Ruimin Qiao et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials

(2017) Jinhyuk Lee et al.   Nature Communications

Fluorination of Lithium-Excess Transition Metal Oxide Cathode Materials

(2017) William D. Richards et al.   Advanced Energy Materials

Reversible Three-Electron Redox Reaction of Mo3+/Mo6+ for Rechargeable Lithium Batteries

(2017) Satoshi Hoshino et al.   ACS Energy Letters

Understanding the Effect of Cation Disorder on the Voltage Profile of Lithium Transition-Metal Oxides

(2016) Aziz Abdellahi et al.   CHEMISTRY OF MATERIALS

Synthesis and Electrode Performance of Li4MoO5-LiFeO2 Binary System as Positive Electrode Materials for Rechargeable Lithium Batteries

(2016) Takashi MATSUHARA et al.   ELECTROCHEMISTRY

Improvement of Cathode Properties by Lithium Excess in Disordered Rocksalt Li2+2xMn1−xTi1−xO4

(2016) Ayuko KITAJOU et al.   ELECTROCHEMISTRY

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

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

Performance and design considerations for lithium excess layered oxide positive electrode materials for lithium ion batteries

(2016) Sunny Hy et al.   Energy & Environmental Science

Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite

(2016) Daniil A. Kitchaev et al.   Nature Communications

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

(2016) Naoaki Yabuuchi et al.   Nature Communications

Lithiation-driven structural transition of VO2F into disordered rock-salt LixVO2F

(2016) Ruiyong Chen et al.   RSC Advances

High-Performance Low-Temperature Li+ Intercalation in Disordered Rock-Salt Li-Cr-V Oxyfluorides

(2016) Ruiyong Chen et al.   ChemElectroChem

Characterization of Disordered Li(1+x)Ti2xFe(1–3x)O2 as Positive Electrode Materials in Li-Ion Batteries Using Percolation Theory

(2015) Stephen L. Glazier et al.   CHEMISTRY OF MATERIALS

A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li 1.25 Nb 0.25 Mn 0.5 O 2

(2015) Rui Wang et al.   ELECTROCHEMISTRY COMMUNICATIONS

A new class of high capacity cation-disordered oxides for rechargeable lithium batteries: Li–Ni–Ti–Mo oxides

(2015) Jinhyuk Lee et al.   Energy & Environmental Science

Recent Achievements on Inorganic Electrode Materials for Lithium-Ion Batteries

(2015) Laurence Croguennec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Calibrating transition-metal energy levels and oxygen bands in first-principles calculations: Accurate prediction of redox potentials and charge transfer in lithium transition-metal oxides

(2015) Dong-Hwa Seo et al.   PHYSICAL REVIEW B

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

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

(2015) Naoaki Yabuuchi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Disordered Lithium-Rich Oxyfluoride as a Stable Host for Enhanced Li+Intercalation Storage

(2015) Ruiyong Chen et al.   Advanced Energy Materials

Designing New Lithium-Excess Cathode Materials from Percolation Theory: Nanohighways in LixNi2–4x/3Sbx/3O2

(2014) Nancy Twu et al.   NANO LETTERS

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries

(2014) J. Lee et al.   SCIENCE

The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes

(2014) Alexander Urban et al.   Advanced Energy Materials

Frequency-stepped acquisition in nuclear magnetic resonance spectroscopy under magic angle spinning

(2013) Andrew J. Pell et al.   JOURNAL OF CHEMICAL PHYSICS

Key electronic states in lithium battery materials probed by soft X-ray spectroscopy

(2013) Wanli Yang et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Compressive sensing as a paradigm for building physics models

(2013) Lance J. Nelson et al.   PHYSICAL REVIEW B

Determination of Mn valence states in mixed-valent manganates by XANES spectroscopy

(2012) A. Manceau et al.   AMERICAN MINERALOGIST

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

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

Spectroscopic fingerprints of valence and spin states in manganese oxides and fluorides

(2012) Ruimin Qiao et al.   CURRENT APPLIED PHYSICS

Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li–O2 Batteries

(2012) B. D. McCloskey et al.   Journal of Physical Chemistry Letters

Soft X-Ray Irradiation Effects of Li2O2, Li2CO3 and Li2O Revealed by Absorption Spectroscopy

(2012) Ruimin Qiao et al.   PLoS One

Lithium-Rich Rock-Salt-Type Vanadate as Energy Storage Cathode: Li2–xVO3

(2011) Valerie Pralong et al.   CHEMISTRY OF MATERIALS

Solvents’ Critical Role in Nonaqueous Lithium–Oxygen Battery Electrochemistry

(2011) B. D. McCloskey et al.   Journal of Physical Chemistry Letters

On the Efficacy of Electrocatalysis in Nonaqueous Li–O2Batteries

(2011) Bryan D. McCloskey et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

Synthesis of “Li[sub 1.1](Ni[sub 0.425]Mn[sub 0.425]Co[sub 0.15])[sub 0.9]O[sub 1.8]F[sub 0.2]” Materials by Different Routes: Is There Fluorine Substitution for Oxygen?

(2009) L. Croguennec et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Acquisition of ultra-wideline NMR spectra from quadrupolar nuclei by frequency stepped WURST–QCPMG

(2008) Luke A. O’Dell et al.   CHEMICAL PHYSICS LETTERS

NMR evidence of LiF coating rather than fluorine substitution in Li(Ni0.425Mn0.425Co0.15)O2

(2008) M. Ménétrier et al.   JOURNAL OF SOLID STATE CHEMISTRY