Rational Design of High Reversible Capacity in Li-rich Disordered Rocksalt Cathodes

Optimizing Li‐Excess Cation‐Disordered Rocksalt Cathode Design Through Partial Li Deficiency

(2022) Liliang Huang et al.   Advanced Energy Materials

Tailoring the Redox Reactions for High‐Capacity Cycling of Cation‐Disordered Rocksalt Cathodes

(2021) Yuan Yue et al.   ADVANCED FUNCTIONAL MATERIALS

Determining the Criticality of Li‐Excess for Disordered‐Rocksalt Li‐Ion Battery Cathodes

(2021) Jinhyuk Lee et al.   Advanced Energy Materials

An Overview of Cation-Disordered Lithium-Excess Rocksalt Cathodes

(2021) Dongchang Chen et al.   ACS Energy Letters

Non-topotactic reactions enable high rate capability in Li-rich cathode materials

(2021) Jianping Huang et al.   Nature Energy

First-cycle voltage hysteresis in Li-rich 3d cathodes associated with molecular O2 trapped in the bulk

(2020) Robert A. House et al.   Nature Energy

Unified picture of anionic redox in Li/Na-ion batteries

(2019) Mouna Ben Yahia et al.   NATURE MATERIALS

Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides

(2019) Jihyun Hong et al.   NATURE MATERIALS

Unraveling Oxygen Evolution in Li-Rich Oxides: A Unified Modeling of the Intermediate Peroxo/Superoxo-like Dimers

(2019) Zhenlian Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamic imaging of crystalline defects in lithium-manganese oxide electrodes during electrochemical activation to high voltage

(2019) Qianqian Li et al.   Nature Communications

Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes

(2019) Zhengyan Lun et al.   Chem

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

(2018) Daniil A. Kitchaev et al.   Energy & Environmental Science

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

(2018) Jinhyuk Lee et al.   NATURE

Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries

(2018) Gaurav Assat et al.   Nature Energy

Evolution of redox couples in Li- and Mn-rich cathode materials and mitigation of voltage fade by reducing oxygen release

(2018) Enyuan Hu et al.   Nature Energy

Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution

(2018) Zhengyan Lun et al.   Advanced Energy Materials

Requirements for reversible extra-capacity in Li-rich layered oxides for Li-ion batteries

(2017) Y. Xie et al.   Energy & Environmental Science

Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3

(2017) Paul E. Pearce et al.   NATURE MATERIALS

Fundamental interplay between anionic/cationic redox governing the kinetics and thermodynamics of lithium-rich cathodes

(2017) Gaurav Assat et al.   Nature Communications

The intriguing question of anionic redox in high-energy density cathodes for Li-ion batteries

(2016) M. Saubanère et al.   Energy & Environmental Science

The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials

(2016) Dong-Hwa Seo et al.   Nature Chemistry

Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystals

(2016) Kirill Okhotnikov et al.   Journal of Cheminformatics

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

A new active Li–Mn–O compound for high energy density Li-ion batteries

(2015) M. Freire et al.   NATURE MATERIALS

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

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

(2014) Alexander Urban et al.   Advanced Energy Materials

Structural and Chemical Evolution of the Layered Li-Excess Li x MnO3 as a Function of Li Content from First-Principles Calculations

(2014) Eunseok Lee et al.   Advanced Energy Materials

Efficient stochastic generation of special quasirandom structures

(2013) A. van de Walle et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

The Li-Ion Rechargeable Battery: A Perspective

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

Reversible anionic redox chemistry in high-capacity layered-oxide electrodes

(2013) M. Sathiya et al.   NATURE MATERIALS

Evolutionary metadynamics: a novel method to predict crystal structures

(2012) Qiang Zhu et al.   CRYSTENGCOMM

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

(2009) Axel van de Walle   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY