The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides

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

(2019) Jonas L. Kaufman et al.   PHYSICAL REVIEW MATERIALS

Non-equilibrium crystallization pathways of manganese oxides in aqueous solution

(2019) Wenhao Sun et al.   Nature Communications

Looking into the Black Box of Solid-State Synthesis

(2019) Holger Kohlmann   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Combined computational and experimental investigation of the La2CuO4–xSx(0 ≤x≤ 4) quaternary system

(2018) Hua He et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Understanding crystallization pathways leading to manganese oxide polymorph formation

(2018) Bor-Rong Chen et al.   Nature Communications

Thermodynamic limit for synthesis of metastable inorganic materials

(2018) Muratahan Aykol et al.   Science Advances

Inverse design in search of materials with target functionalities

(2018) Alex Zunger   Nature Reviews Chemistry

A First-Principles and Experimental Investigation of Nickel Solubility into the P2 Na x CoO2 Sodium-Ion Cathode

(2018) Matteo Bianchini et al.   Advanced Energy Materials

Guiding Synthesis of Polymorphs of Materials Using Nanometric Phase Diagrams

(2018) Xuetian Ma et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In situ identification of kinetic factors that expedite inorganic crystal formation and discovery

(2017) Zhelong Jiang et al.   Journal of Materials Chemistry C

Sodium and Manganese Stoichiometry of P2-Type Na2/3 MnO2

(2016) Shinichi Kumakura et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Computational predictions of energy materials using density functional theory

(2016) Anubhav Jain et al.   Nature Reviews Materials

The thermodynamic scale of inorganic crystalline metastability

(2016) W. Sun et al.   Science Advances

Structure Tracking Aided Design and Synthesis of Li3V2(PO4)3 Nanocrystals as High-Power Cathodes for Lithium Ion Batteries

(2015) Liping Wang et al.   CHEMISTRY OF MATERIALS

Interface Stability in Solid-State Batteries

(2015) William D. Richards et al.   CHEMISTRY OF MATERIALS

Formation of tavorite -type LiFeSO 4 F followed by in situ X-ray diffraction

(2015) Rickard Eriksson et al.   JOURNAL OF POWER SOURCES

Investigation of the NaNixMn1-xO2 (0

(2015) R. Fielden et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

Nucleation of metastable aragonite CaCO3in seawater

(2015) Wenhao Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

A study of suppressed formation of low-conductivity phases in doped Li7La3Zr2O12 garnets by in situ neutron diffraction

(2015) Yan Chen et al.   Journal of Materials Chemistry A

Research Development on Sodium-Ion Batteries

(2014) Naoaki Yabuuchi et al.   CHEMICAL REVIEWS

Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations

(2014) Yifei Mo et al.   CHEMISTRY OF MATERIALS

Synthesis and Stoichiometry of Different Layered Sodium Cobalt Oxides

(2014) Yuechuan Lei et al.   CHEMISTRY OF MATERIALS

In Situ Studies of Solvothermal Synthesis of Energy Materials

(2014) Kirsten M. Ø. Jensen et al.   ChemSusChem

In situ studies of a platform for metastable inorganic crystal growth and materials discovery

(2014) D. P. Shoemaker et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Nanoscale Effects on Thermodynamics and Phase Equilibria in Oxide Systems

(2011) Alexandra Navrotsky   CHEMPHYSCHEM

Stabilization of over-stoichiometric Mn4+ in layered Na2/3MnO2

(2010) R. Stoyanova et al.   JOURNAL OF SOLID STATE CHEMISTRY

Li−Fe−P−O2 Phase Diagram from First Principles Calculations

(2008) Shyue Ping Ong et al.   CHEMISTRY OF MATERIALS

High-temperature phase transition in the three-layered sodium cobaltiteP′3-NaxCoO2(x∼0.62)

(2008) Maxime Blangero et al.   PHYSICAL REVIEW B