Nonpolarizing oxygen-redox capacity without O-O dimerization in Na2Mn3O7

Voltage decay and redox asymmetry mitigation by reversible cation migration in lithium-rich layered oxide electrodes

(2020) Donggun Eum et al.   NATURE MATERIALS

Design Rules for High-Valent Redox in Intercalation Electrodes

(2020) William E. Gent et al.   Joule

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

Understanding the Low-Voltage Hysteresis of Anionic Redox in Na2Mn3O7

(2019) Bohang Song et al.   CHEMISTRY OF MATERIALS

Coulombic self-ordering upon charging a large-capacity layered cathode material for rechargeable batteries

(2019) Benoit Mortemard de Boisse et al.   Nature Communications

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

Probing the thermal effects of voltage hysteresis in anionic redox-based lithium-rich cathodes using isothermal calorimetry

(2019) Gaurav Assat et al.   Nature Energy

Nanosize Cation‐Disordered Rocksalt Oxides: Na 2 TiO 3 –NaMnO 2 Binary System

(2019) Tokio Kobayashi et al.   Small

Charge Compensation Mechanism of Lithium-Excess Metal Oxides with Different Covalent and Ionic Characters Revealed by Operando Soft and Hard X-ray Absorption Spectroscopy

(2019) Kentaro Yamamoto et al.   CHEMISTRY OF MATERIALS

Superstructure control of first-cycle voltage hysteresis in oxygen-redox cathodes

(2019) Robert A. House et al.   NATURE

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2

(2018) Urmimala Maitra et al.   Nature Chemistry

Elucidating anionic oxygen activity in lithium-rich layered oxides

(2018) Jing Xu et al.   Nature Communications

Highly Reversible Oxygen-Redox Chemistry at 4.1 V in Na4/7− x [□1/7 Mn6/7 ]O2 (□: Mn Vacancy)

(2018) Benoit Mortemard de Boisse et al.   Advanced Energy Materials

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

(2018) Gaurav Assat et al.   Nature Energy

Material Design Concept of Lithium-Excess Electrode Materials with Rocksalt-Related Structures for Rechargeable Non-Aqueous Batteries

(2018) Naoaki Yabuuchi   CHEMICAL RECORD

Coupling between oxygen redox and cation migration explains unusual electrochemistry in lithium-rich layered oxides

(2017) William E. Gent et al.   Nature Communications

Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4

(2017) Arnaud J. Perez et al.   Nature Energy

Enabling the high capacity of lithium-rich anti-fluorite lithium iron oxide by simultaneous anionic and cationic redox

(2017) Chun Zhan et al.   Nature Energy

Lithium Extraction Mechanism in Li-Rich Li2MnO3 Involving Oxygen Hole Formation and Dimerization

(2016) Hungru Chen et al.   CHEMISTRY OF MATERIALS

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

Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen

(2016) Kun Luo et al.   Nature Chemistry

Intermediate honeycomb ordering to trigger oxygen redox chemistry in layered battery electrode

(2016) Benoit Mortemard de Boisse 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

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

Computational understanding of Li-ion batteries

(2016) Alexander Urban et al.   npj Computational Materials

Anionic redox chemistry in Na-rich Na 2 Ru 1−y Sn y O 3 positive electrode material for Na-ion batteries

(2015) Patrick Rozier et al.   ELECTROCHEMISTRY COMMUNICATIONS

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

Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries

(2015) E. McCalla et al.   SCIENCE

Ultimate Limits to Intercalation Reactions for Lithium Batteries

(2014) M. Stanley Whittingham   CHEMICAL REVIEWS

New O2/P2-type Li-Excess Layered Manganese Oxides as Promising Multi-Functional Electrode Materials for Rechargeable Li/Na Batteries

(2014) Naoaki Yabuuchi et al.   Advanced Energy Materials

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

(2013) M. Sathiya et al.   NATURE MATERIALS

The Birth of the Lithium-Ion Battery

(2012) Akira Yoshino   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Antiferromagnetic ordering in Li2MnO3single crystals with a two-dimensional honeycomb lattice

(2012) Sanghyun Lee et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Charge compensation mechanisms in Li1.16Ni0.15Co0.19Mn0.50O2 positive electrode material for Li-ion batteries analyzed by a combination of hard and soft X-ray absorption near edge structure

(2012) Masatsugu Oishi et al.   JOURNAL OF POWER SOURCES

Identifying surface structural changes in layered Li-excess nickel manganese oxides in high voltage lithium ion batteries: A joint experimental and theoretical study

(2011) Bo Xu et al.   Energy & Environmental Science

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanisms Associated with the “Plateau” Observed at High Voltage for the Overlithiated Li1.12(Ni0.425Mn0.425Co0.15)0.88O2System

(2008) N. Tran et al.   CHEMISTRY OF MATERIALS