Comparison of the polymorphs of VOPO4 as multi-electron cathodes for rechargeable alkali-ion batteries

Uniform second Li ion intercalation in solid state ϵ-LiVOPO4

(2016) Linda W. Wangoh et al.   APPLIED PHYSICS LETTERS

Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors

(2016) Zhi Deng et al.   CHEMISTRY OF MATERIALS

A 3.4 V Layered VOPO4 Cathode for Na-Ion Batteries

(2016) Guang He et al.   CHEMISTRY OF MATERIALS

Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO4 over Multiple Lithium Intercalation

(2016) Yuh-Chieh Lin et al.   CHEMISTRY OF MATERIALS

β-NaVOPO4 Obtained by a Low-Temperature Synthesis Process: A New 3.3 V Cathode for Sodium-Ion Batteries

(2016) Guang He et al.   CHEMISTRY OF MATERIALS

Crystal Chemistry of Electrochemically and Chemically Lithiated Layered αI-LiVOPO4

(2015) Guang He et al.   CHEMISTRY OF MATERIALS

Explaining Performance-Limiting Mechanisms in Fluorophosphate Na-Ion Battery Cathodes through Inactive Transition-Metal Mixing and First-Principles Mobility Calculations

(2015) Ian L. Matts et al.   CHEMISTRY OF MATERIALS

Interfacial Effects in ε-LixVOPO4 and Evolution of the Electronic Structure

(2015) N. F. Quackenbush et al.   CHEMISTRY OF MATERIALS

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

(2015) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Ultimate Limits to Intercalation Reactions for Lithium Batteries

(2014) M. Stanley Whittingham   CHEMICAL REVIEWS

Chemical and Electrochemical Lithiation of LiVOPO4 Cathodes for Lithium-Ion Batteries

(2014) Katharine L. Harrison et al.   CHEMISTRY OF MATERIALS

Improved initial guess for minimum energy path calculations

(2014) Søren Smidstrup et al.   JOURNAL OF CHEMICAL PHYSICS

Phase stability and its impact on the electrochemical performance of VOPO4and LiVOPO4

(2014) Chen Ling et al.   Journal of Materials Chemistry A

Multiple phases in the ε-VPO4O–LiVPO4O–Li2VPO4O system: a combined solid state electrochemistry and diffraction structural study

(2014) M. Bianchini et al.   Journal of Materials Chemistry A

Exploration of NaVOPO4 as a cathode for a Na-ion battery

(2013) Jie Song et al.   CHEMICAL COMMUNICATIONS

Microwave-Assisted Solvothermal Synthesis and Characterization of Various Polymorphs of LiVOPO4

(2013) Katharine L. Harrison et al.   CHEMISTRY OF MATERIALS

Effects of Na Substitution on Li Ion Migration in Li2CoSiO4Cathode Material

(2013) P. Zhang et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Electrochemical Behavior of Nanostructured ɛ-VOPO4over Two Redox Plateaus

(2013) Zehua Chen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

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

A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries

(2012) R. A. Shakoor et al.   JOURNAL OF MATERIALS CHEMISTRY

Synthesis and electrochemical studies of layer-structured metastable αI-LiVOPO4

(2012) A. Shahul Hameed et al.   JOURNAL OF MATERIALS CHEMISTRY

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

Electrochemical and Thermal Properties of NASICON Structured Na3V2(PO4)3as a Sodium Rechargeable Battery Cathode: A Combined Experimental and Theoretical Study

(2012) Soo Yeon Lim et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ultrathin Nanosheets of Li2MSiO4 (M = Fe, Mn) as High-Capacity Li-Ion Battery Electrode

(2012) Dinesh Rangappa et al.   NANO LETTERS

Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

(2011) Tim Mueller 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

Silicate cathodes for lithium batteries: alternatives to phosphates?

(2011) M. Saiful Islam et al.   JOURNAL OF MATERIALS CHEMISTRY

Structure and Lithium Transport Pathways in Li2FeSiO4Cathodes for Lithium Batteries

(2011) A. Robert Armstrong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis, Structure and Electrochemistry of Lithium Vanadium Phosphate Cathode Materials

(2011) Chris J. Allen et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

(2011) Thomas F. Willems et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Particle Size Dependence of the Ionic Diffusivity

(2010) Rahul Malik et al.   NANO LETTERS

Accurate treatment of solids with the HSE screened hybrid

(2010) Thomas M. Henderson et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Li2MnSiO4Lithium Battery Material: Atomic-Scale Study of Defects, Lithium Mobility, and Trivalent Dopants

(2009) N. Kuganathan et al.   CHEMISTRY OF MATERIALS

The crystal structure of δ-VOPO4 and its relationship to ω-VOPO4

(2009) Frank Girgsdies et al.   SOLID STATE SCIENCES

Layered Lithium Vanadium Fluorophosphate, Li5V(PO4)2F2: A 4 V Class Positive Electrode Material for Lithium-Ion Batteries

(2008) Y. Makimura et al.   CHEMISTRY OF MATERIALS

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

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

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Towards the understanding of poor electrochemical activity of triclinic LiVOPO4: Experimental characterization and theoretical investigations

(2008) Yong Yang et al.   SOLID STATE SCIENCES