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

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

What Triggers Oxygen Loss in Oxygen Redox Cathode Materials?

(2019) Robert A. House et al.   CHEMISTRY OF MATERIALS

Lithium manganese oxyfluoride as a new cathode material exhibiting oxygen redox

(2018) Robert A. House et al.   Energy & Environmental Science

Anionic and cationic redox and interfaces in batteries: Advances from soft X-ray absorption spectroscopy to resonant inelastic scattering

(2018) Wanli Yang et al.   JOURNAL OF POWER SOURCES

Singlet oxygen evolution from layered transition metal oxide cathode materials and its implications for lithium-ion batteries

(2018) Johannes Wandt et al.   Materials Today

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

(2018) Urmimala Maitra et al.   Nature Chemistry

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

Singlet Oxygen Reactivity with Carbonate Solvents Used for Li-Ion Battery Electrolytes

(2018) Anna T. S. Freiberg et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Direct evidence for high Na+ mobility and high voltage structural processes in P2-Nax[LiyNizMn1−y−z]O2 (x, y, z ≤ 1) cathodes from solid-state NMR and DFT calculations

(2017) R. J. Clément et al.   Journal of Materials Chemistry A

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

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

Direct observation of reversible oxygen anion redox reaction in Li-rich manganese oxide, Li2MnO3, studied by soft X-ray absorption spectroscopy

(2016) Masatsugu Oishi et al.   Journal of Materials Chemistry A

Optimization algorithm for the generation of ONCV pseudopotentials

(2015) Martin Schlipf et al.   COMPUTER PHYSICS COMMUNICATIONS

First-charge instabilities of layered-layered lithium-ion-battery materials

(2015) Jason R. Croy et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2015) E. McCalla et al.   SCIENCE

A new electrode material for rechargeable sodium batteries: P2-type Na2/3[Mg0.28Mn0.72]O2 with anomalously high reversible capacity

(2014) Naoaki Yabuuchi et al.   Journal of Materials Chemistry A

Reversible Oxygen Participation to the Redox Processes Revealed for Li1.20Mn0.54Co0.13Ni0.13O2

(2013) Hideyuki Koga et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

(2013) M. Sathiya et al.   NATURE MATERIALS

An advanced cathode for Na-ion batteries with high rate and excellent structural stability

(2012) Dae Hoe Lee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Unveiling the complex electronic structure of amorphous metal oxides

(2011) C. Arhammar et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER