Evaluation of sulfur spinel compounds for multivalent battery cathode applications

A high capacity thiospinel cathode for Mg batteries

(2016) Xiaoqi Sun et al.   Energy & Environmental Science

Direct Observation of Reversible Magnesium Ion Intercalation into a Spinel Oxide Host

(2015) Chunjoong Kim et al.   ADVANCED MATERIALS

First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5

(2015) Gopalakrishnan Sai Gautam et al.   CHEMICAL COMMUNICATIONS

Mg Desolvation and Intercalation Mechanism at the Mo6S8 Chevrel Phase Surface

(2015) Liwen F. Wan et al.   CHEMISTRY OF MATERIALS

The Intercalation Phase Diagram of Mg in V2O5 from First-Principles

(2015) Gopalakrishnan Sai Gautam et al.   CHEMISTRY OF MATERIALS

Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes

(2015) Pieremanuele Canepa et al.   CHEMISTRY OF MATERIALS

Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures

(2015) Ziqin Rong et al.   CHEMISTRY OF MATERIALS

Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries

(2015) Pieremanuele Canepa et al.   Energy & Environmental Science

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

(2015) Miao Liu et al.   Energy & Environmental Science

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

(2015) Alexandra Emly et al.   INORGANIC CHEMISTRY

The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics

(2015) Nav Nidhi Rajput et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interlayer-Expanded Molybdenum Disulfide Nanocomposites for Electrochemical Magnesium Storage

(2015) Yanliang Liang et al.   NANO LETTERS

Intercalation and Push-Out Process with Spinel-to-Rocksalt Transition on Mg Insertion into Spinel Oxides in Magnesium Batteries

(2015) Shinya Okamoto et al.   Advanced Science

Quest for Nonaqueous Multivalent Secondary Batteries: Magnesium and Beyond

(2014) John Muldoon et al.   CHEMICAL REVIEWS

Analysis of Charged State Stability for Monoclinic LiMnBO3 Cathode

(2014) Jae Chul Kim et al.   CHEMISTRY OF MATERIALS

Ion-Exchange Mechanism of Layered Transition-Metal Oxides: Case Study of LiNi0.5Mn0.5O2

(2014) Hyeokjo Gwon et al.   INORGANIC CHEMISTRY

MgVPO4F as a one-dimensional Mg-ion conductor for Mg ion battery positive electrode: a first principles calculation

(2014) Jiandong Wu et al.   RSC Advances

Mg rechargeable batteries: an on-going challenge

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

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

(2013) Anubhav Jain et al.   APL Materials

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

(2011) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Formation enthalpies by mixing GGA and GGA+Ucalculations

(2011) Anubhav Jain et al.   PHYSICAL REVIEW B

Rechargeable Mg Batteries with Graphene-like MoS2 Cathode and Ultrasmall Mg Nanoparticle Anode

(2010) Yanliang Liang et al.   ADVANCED MATERIALS

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

(2010) Shyue Ping Ong et al.   ELECTROCHEMISTRY COMMUNICATIONS

Particle Size Dependence of the Ionic Diffusivity

(2010) Rahul Malik et al.   NANO LETTERS

Phase stability and nondilute Li diffusion in spinelLi1+xTi2O4

(2010) Jishnu Bhattacharya et al.   PHYSICAL REVIEW B

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

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