Spinel compounds as multivalent battery cathodes: a systematic evaluation based on ab initio calculations

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries

(2014) J. Lee et al.   SCIENCE

Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals

(2013) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Investigation of the intercalation of polyvalent cations (Mg2+, Zn2+) into λ-MnO2 for rechargeable aqueous battery

(2013) Congli Yuan et al.   ELECTROCHIMICA ACTA

Mg rechargeable batteries: an on-going challenge

(2013) Hyun Deog Yoo et al.   Energy & Environmental Science

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes

(2013) Jishnu Bhattacharya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

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

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

α-MnO2 as a cathode material for rechargeable Mg batteries

(2012) Ruigang Zhang et al.   ELECTROCHEMISTRY COMMUNICATIONS

Magnesium cobalt silicate materials for reversible magnesium ion storage

(2012) Yupei Zheng et al.   ELECTROCHIMICA ACTA

A Computational Investigation of Li9M3(P2O7)3(PO4)2(M = V, Mo) as Cathodes for Li Ion Batteries

(2012) Anubhav Jain et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles

(2012) Eunseok Lee et al.   NANO LETTERS

Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

(2012) Geoffroy Hautier et al.   PHYSICAL REVIEW B

A GGA+U study of lithium diffusion in vanadium doped LiFePO4

(2012) Hao Lin et al.   SOLID STATE COMMUNICATIONS

Calculations of Li-Ion Diffusion in Olivine Phosphates

(2011) Gopi Krishna Phani Dathar et al.   CHEMISTRY OF MATERIALS

Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughputab InitioCalculations

(2011) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

(2011) Shyue Ping Ong et al.   Energy & Environmental Science

Porous monodisperse V2O5 microspheres as cathode materials for lithium-ion batteries

(2011) Suqing Wang et al.   JOURNAL OF MATERIALS CHEMISTRY

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

Thermal stabilities of delithiated olivine MPO4 (M=Fe, Mn) cathodes investigated using first principles calculations

(2010) Shyue Ping Ong et al.   ELECTROCHEMISTRY COMMUNICATIONS

Free-standing V2O5 electrode for flexible lithium ion batteries

(2010) Kuok Hau Seng et al.   ELECTROCHEMISTRY COMMUNICATIONS

Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods

(2010) Bo Xu et al.   JOURNAL OF POWER SOURCES

Rate Properties and Elevated-Temperature Performances of LiNi[sub 0.5−x]Cr[sub 2x]Mn[sub 1.5−x]O[sub 4] (0≤2x≤0.8) as 5 V Cathode Materials for Lithium-Ion Batteries

(2010) Dongqiang Liu et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Phase stability and nondilute Li diffusion in spinelLi1+xTi2O4

(2010) Jishnu Bhattacharya et al.   PHYSICAL REVIEW B

Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

(2010) Kristin Persson et al.   PHYSICAL REVIEW B

Reversible Insertion Properties of Zinc Ion into Manganese Dioxide and Its Application for Energy Storage

(2009) Chengjun Xu et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

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

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

Electrochemical Conversion of LiMn[sub 2]O[sub 4] to MgMn[sub 2]O[sub 4] in Aqueous Electrolytes

(2008) Nupur Nikkan Sinha et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS