Machine Learning Guided Synthesis of Multinary Chevrel Phase Chalcogenides

Stabilizing Hydrogen Adsorption through Theory-Guided Chalcogen Substitution in Chevrel-Phase Mo6X8 (X=S, Se, Te) Electrocatalysts

(2020) Jessica C. Ortiz-Rodríguez et al.   ACS Applied Materials & Interfaces

A Synergistic Approach to Unraveling the Thermodynamic Stability of Binary and Ternary Chevrel Phase Sulfides

(2020) Kristina Lilova et al.   CHEMISTRY OF MATERIALS

Simple descriptor derived from symbolic regression accelerating the discovery of new perovskite catalysts

(2020) Baicheng Weng et al.   Nature Communications

New tolerance factor to predict the stability of perovskite oxides and halides

(2019) Christopher J. Bartel et al.   Science Advances

Intercalation-conversion hybrid cathodes enabling Li–S full-cell architectures with jointly superior gravimetric and volumetric energy densities

(2019) Weijiang Xue et al.   Nature Energy

X-ray absorption spectroscopy study of the electronic structure and local coordination of 1st row transition metal-promoted Chevrel-phase sulfides

(2019) Joseph T. Perryman et al.   JOURNAL OF COORDINATION CHEMISTRY

A map of the inorganic ternary metal nitrides

(2019) Wenhao Sun et al.   NATURE MATERIALS

Matminer: An open source toolkit for materials data mining

(2018) Logan Ward et al.   COMPUTATIONAL MATERIALS SCIENCE

Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties

(2018) Tian Xie et al.   PHYSICAL REVIEW LETTERS

Efficient first-principles prediction of solid stability: Towards chemical accuracy

(2018) Yubo Zhang et al.   npj Computational Materials

Performance of the strongly constrained and appropriately normed density functional for solid-state materials

(2018) Eric B. Isaacs et al.   PHYSICAL REVIEW MATERIALS

Oxidation states and ionicity

(2018) Aron Walsh et al.   NATURE MATERIALS

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates

(2018) Runhai Ouyang et al.   PHYSICAL REVIEW MATERIALS

Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry

(2018) Christopher J. Bartel et al.   Nature Communications

ElemNet: Deep Learning the Chemistry of Materials From Only Elemental Composition

(2018) Dipendra Jha et al.   Scientific Reports

The role of decomposition reactions in assessing first-principles predictions of solid stability

(2018) Christopher J. Bartel et al.   npj Computational Materials

Chevrel Phase Mo6 T8 (T = S, Se) as Electrodes for Advanced Energy Storage

(2017) Lin Mei et al.   Small

Hollow Chevrel-Phase NiMo3S4for Hydrogen Evolution in Alkaline Electrolytes

(2016) Jun Jiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Stabilizing high voltage LiCoO2 cathode in aqueous electrolyte with interphase-forming additive

(2016) Fei Wang et al.   Energy & Environmental Science

Machine Learning Energies of 2 Million Elpasolite(ABC2D6)Crystals

(2016) Felix A. Faber et al.   PHYSICAL REVIEW LETTERS

Promise and reality of post-lithium-ion batteries with high energy densities

(2016) Jang Wook Choi et al.   Nature Reviews Materials

The thermodynamic scale of inorganic crystalline metastability

(2016) W. Sun et al.   Science Advances

A general-purpose machine learning framework for predicting properties of inorganic materials

(2016) Logan Ward et al.   npj Computational Materials

Reversible Electrochemical Intercalation of Aluminum in Mo6S8

(2015) Linxiao Geng et al.   CHEMISTRY OF MATERIALS

Chevrel phases: Past, present and future

(2015) Octavio Peña   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Strongly Constrained and Appropriately Normed Semilocal Density Functional

(2015) Jianwei Sun et al.   PHYSICAL REVIEW LETTERS

"Water-in-salt" electrolyte enables high-voltage aqueous lithium-ion chemistries

(2015) L. Suo et al.   SCIENCE

Mechanistic Study of Methanol Synthesis from CO2 and H2 on a Modified Model Mo6S8 Cluster

(2015) Cheng Liu et al.   ACS Catalysis

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Chevrel Phases, MxMo6T8(M = Metals, T = S, Se, Te) as a Structural Chameleon: Changes in the Rhombohedral Framework and Triclinic Distortion

(2010) Elena Levi et al.   CHEMISTRY OF MATERIALS

New Insight on the Unusually High Ionic Mobility in Chevrel Phases

(2009) E. Levi et al.   CHEMISTRY OF MATERIALS

Crystallography of Chevrel Phases, MMo6T8(M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility

(2009) E. Levi et al.   INORGANIC CHEMISTRY

Thermoelectric properties of MxMo6Te8 (M=Ag, Cu)

(2009) Xiao-ya SHI et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 3. The Crystal Structure of Triclinic Mg2Mo6Se8

(2008) E. Levi et al.   INORGANIC CHEMISTRY

Effect of chalcogen substitution in mixed Mo6S8−nSen (n=0, 1, 2) Chevrel phases on the thermodynamics and kinetics of reversible Mg ions insertion

(2007) G.S. Suresh et al.   ELECTROCHIMICA ACTA