NaxCoO2 phase stability and hierarchical orderings in the O3/P3 structure family

First-Principles Statistical Mechanics of Multicomponent Crystals

(2018) A. Van der Ven et al.   Annual Review of Materials Research

Simulating Charge, Spin, and Orbital Ordering: Application to Jahn–Teller Distortions in Layered Transition-Metal Oxides

(2018) Maxwell D. Radin et al.   CHEMISTRY OF MATERIALS

Computational Studies of Electrode Materials in Sodium-Ion Batteries

(2018) Qiang Bai et al.   Advanced Energy Materials

Sodium and Sodium-Ion Batteries: 50 Years of Research

(2018) Claude Delmas   Advanced Energy Materials

Diffusion mechanism in the sodium-ion battery material sodium cobaltate

(2018) T. J. Willis et al.   Scientific Reports

Exploration of the NaxMoO2 phase diagram for low sodium contents (x ≤ 0.5)

(2018) Laura Vitoux et al.   Journal of Materials Chemistry A

Role of Crystal Symmetry in the Reversibility of Stacking-Sequence Changes in Layered Intercalation Electrodes

(2017) Maxwell D. Radin et al.   NANO LETTERS

Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials

(2017) Maxwell D. Radin et al.   Advanced Energy Materials

On the early stages of precipitation in dilute Mg–Nd alloys

(2016) Anirudh Raju Natarajan et al.   ACTA MATERIALIA

Understanding the Structural Evolution and Redox Mechanism of a NaFeO2-NaCoO2Solid Solution for Sodium-Ion Batteries

(2016) Kei Kubota et al.   ADVANCED FUNCTIONAL MATERIALS

Stability of Prismatic and Octahedral Coordination in Layered Oxides and Sulfides Intercalated with Alkali and Alkaline-Earth Metals

(2016) Maxwell D. Radin et al.   CHEMISTRY OF MATERIALS

Stacking-Sequence Changes and Na Ordering in Layered Intercalation Materials

(2016) Julija Vinckevičiu̅tė et al.   CHEMISTRY OF MATERIALS

Thermally and Electrochemically Driven Topotactical Transformations in Sodium Layered Oxides NaxVO2

(2016) Christophe Didier et al.   CHEMISTRY OF MATERIALS

Understanding sodium-ion diffusion in layered P2 and P3 oxides via experiments and first-principles calculations: a bridge between crystal structure and electrochemical performance

(2016) Shaohua Guo et al.   NPG Asia Materials

A new O3-type layered oxide cathode with high energy/power density for rechargeable Na batteries

(2015) Haodong Liu et al.   CHEMICAL COMMUNICATIONS

A comprehensive review of sodium layered oxides: powerful cathodes for Na-ion batteries

(2015) Man Huon Han et al.   Energy & Environmental Science

NaTiO2: a layered anode material for sodium-ion batteries

(2015) Di Wu et al.   Energy & Environmental Science

Mg Intercalation in Layered and Spinel Host Crystal Structures for Mg Batteries

(2015) Alexandra Emly et al.   INORGANIC CHEMISTRY

van der Waals Interactions in Layered Lithium Cobalt Oxides

(2015) Muratahan Aykol et al.   Journal of Physical Chemistry C

Testing predictions from density functional theory at finite temperatures:β2-like ground states in Co-Pt

(2015) Elizabeth Decolvenaere et al.   PHYSICAL REVIEW B

Fast discharge process of layered cobalt oxides due to high Na+ diffusion

(2015) Takayuki Shibata et al.   Scientific Reports

O3–NaxMn1/3Fe2/3O2 as a positive electrode material for Na-ion batteries: structural evolutions and redox mechanisms upon Na+ (de)intercalation

(2015) B. Mortemard de Boisse et al.   Journal of Materials Chemistry A

Vacancy Ordering inO3-Type Layered Metal Oxide Sodium-Ion Battery Cathodes

(2015) Alexandra J. Toumar et al.   Physical Review Applied

Research Development on Sodium-Ion Batteries

(2014) Naoaki Yabuuchi et al.   CHEMICAL REVIEWS

Synthesis and Stoichiometry of Different Layered Sodium Cobalt Oxides

(2014) Yuechuan Lei et al.   CHEMISTRY OF MATERIALS

O3-type Na(Mn0.25Fe0.25Co0.25Ni0.25)O2: A quaternary layered cathode compound for rechargeable Na ion batteries

(2014) Xin Li et al.   ELECTROCHEMISTRY COMMUNICATIONS

P2-NaxMn1/2Fe1/2O2 Phase Used as Positive Electrode in Na Batteries: Structural Changes Induced by the Electrochemical (De)intercalation Process

(2014) Benoit Mortemard de Boisse et al.   INORGANIC CHEMISTRY

New Insight into Structural Evolution in Layered NaCrO2 during Electrochemical Sodium Extraction

(2014) Kei Kubota et al.   Journal of Physical Chemistry C

Layered oxides as positive electrode materials for Na-ion batteries

(2014) Kei Kubota et al.   MRS BULLETIN

Direct visualization of the Jahn–Teller effect coupled to Na ordering in Na 5/8 MnO 2

(2014) Xin Li et al.   NATURE MATERIALS

Finite-temperature properties of strongly anharmonic and mechanically unstable crystal phases from first principles

(2014) John C. Thomas et al.   PHYSICAL REVIEW B

Electrochemical properties of NaNi1/3Co1/3Fe1/3O2 as a cathode material for Na-ion batteries

(2013) Plousia Vassilaras et al.   ELECTROCHEMISTRY COMMUNICATIONS

Thermodynamics of the Zr-O system from first-principles calculations

(2013) B. Puchala et al.   PHYSICAL REVIEW B

Understanding Li Diffusion in Li-Intercalation Compounds

(2012) Anton Van der Ven et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electrochemical Properties of Monoclinic NaNiO2

(2012) Plousia Vassilaras et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

P2-Na x VO2 system as electrodes for batteries and electron-correlated materials

(2012) Marie Guignard 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

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

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

Electrochemical Properties of Monoclinic NaMnO2

(2011) Xiaohua Ma et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Electrochemical investigation of the P2–Na x CoO2 phase diagram

(2010) R. Berthelot et al.   NATURE MATERIALS

Hybrid density functional calculations of redox potentials and formation energies of transition metal compounds

(2010) V. L. Chevrier et al.   PHYSICAL REVIEW B

Chemical accuracy for the van der Waals density functional

(2009) Jiří Klimeš et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

An investigation of the sodium patterning in NaxCoO2 (0.5⩽x⩽1) by density functional theory methods

(2008) Ying S. Meng et al.   JOURNAL OF CHEMICAL PHYSICS

Ground-state phase diagram of NaxCoO2: correlation of Na ordering with CoO2stacking sequences

(2008) Yanli Wang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nondilute diffusion from first principles: Li diffusion inLixTiS2

(2008) Anton Van der Ven et al.   PHYSICAL REVIEW B

Temperature-concentration phase diagram ofP2-NaxCoO2from first-principles calculations

(2008) Yoyo Hinuma et al.   PHYSICAL REVIEW B