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

Origin of High Capacity and Poor Cycling Stability of Li-Rich Layered Oxides: A Long-Duration in Situ Synchrotron Powder Diffraction Study

(2018) Karin Kleiner et al.   CHEMISTRY OF MATERIALS

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

First-Cycle Simulation for Li-Rich Layered Oxide Cathode MaterialxLi2MnO3⋅(1-x)LiMO2(x= 0.4)

(2018) Roy Benedek   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Spectroscopic Signature of Oxidized Oxygen States in Peroxides

(2018) Zengqing Zhuo et al.   Journal of Physical Chemistry Letters

Quantifying ligand effects in high-oxidation-state metal catalysis

(2017) Brennan S. Billow et al.   Nature Chemistry

Activating lattice oxygen redox reactions in metal oxides to catalyse oxygen evolution

(2017) Alexis Grimaud et al.   Nature Chemistry

Modular soft x-ray spectrometer for applications in energy sciences and quantum materials

(2017) Yi-De Chuang et al.   REVIEW OF SCIENTIFIC INSTRUMENTS

Potential hysteresis between charge and discharge reactions in Li1.2Ni0.13Mn0.54Co0.13O2 for lithium ion batteries

(2017) Hiroaki Konishi et al.   SOLID STATE IONICS

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

The Effect of Cation Disorder on the Average Li Intercalation Voltage of Transition-Metal Oxides

(2016) Aziz Abdellahi et al.   CHEMISTRY OF MATERIALS

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

(2016) Hungru Chen et al.   CHEMISTRY OF MATERIALS

Anion Redox Chemistry in the Cobalt Free 3d Transition Metal Oxide Intercalation Electrode Li[Li0.2Ni0.2Mn0.6]O2

(2016) Kun Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Editors' Choice—Practical Assessment of Anionic Redox in Li-Rich Layered Oxide Cathodes: A Mixed Blessing for High Energy Li-Ion Batteries

(2016) Gaurav Assat et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

The active site of low-temperature methane hydroxylation in iron-containing zeolites

(2016) Benjamin E. R. Snyder et al.   NATURE

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

Anionic redox processes for electrochemical devices

(2016) A. Grimaud et al.   NATURE MATERIALS

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

Direct Experimental Probe of the Ni(II)/Ni(III)/Ni(IV) Redox Evolution in LiNi0.5Mn1.5O4 Electrodes

(2015) Ruimin Qiao et al.   Journal of Physical Chemistry C

Re-entrant Lithium Local Environments and Defect Driven Electrochemistry of Li- and Mn-Rich Li-Ion Battery Cathodes

(2015) Fulya Dogan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Why LiFePO4 is a safe battery electrode: Coulomb repulsion induced electron-state reshuffling upon lithiation

(2015) Xiaosong Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds

(2015) M. A. Laguna-Marco et al.   PHYSICAL REVIEW B

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

Unraveling the Voltage-Fade Mechanism in High-Energy-Density Lithium-Ion Batteries: Origin of the Tetrahedral Cations for Spinel Conversion

(2014) Debasish Mohanty et al.   CHEMISTRY OF MATERIALS

Origin of voltage decay in high-capacity layered oxide electrodes

(2014) M. Sathiya et al.   NATURE MATERIALS

Examining Hysteresis in Composite xLi2MnO3·(1–x)LiMO2 Cathode Structures

(2013) Jason R. Croy et al.   Journal of Physical Chemistry C

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

(2013) M. Sathiya et al.   NATURE MATERIALS

Generating derivative structures at a fixed concentration

(2012) Gus L.W. Hart et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles study of the electronic structure and magnetism of CaIrO3

(2012) Alaska Subedi   PHYSICAL REVIEW B

Mechanistic Studies of the Oxygen Evolution Reaction by a Cobalt-Phosphate Catalyst at Neutral pH

(2010) Yogesh Surendranath et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Resonant Inelastic Scattering Spectra of Free Molecules with Vibrational Resolution

(2010) Franz Hennies et al.   PHYSICAL REVIEW LETTERS

Nd2K2IrO7and Sm2K2IrO7: Iridium(VI) Oxides Prepared under Ambient Pressure

(2008) Samuel J. Mugavero et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Algorithm for generating derivative structures

(2008) Gus L. W. Hart et al.   PHYSICAL REVIEW B