Generalized Gradient Approximation Made Simple
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October 1996 |
Synthesis and electrochemical studies of layer-structured metastable αI-LiVOPO4
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January 2012 |
Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional
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July 2004 |
Hydrothermal synthesis, structure, and magnetic properties of a new polymorph of lithium vanadyl(IV) orthophosphate: β-LiVOPO4
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December 1991 |
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
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August 2011 |
A combined first principles and experimental study on Na3V2(PO4)2F3 for rechargeable Na batteries
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January 2012 |
Phase stability and its impact on the electrochemical performance of VOPO 4 and LiVOPO 4
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January 2014 |
Multiple phases in the ε-VPO 4 O–LiVPO 4 O–Li 2 VPO 4 O system: a combined solid state electrochemistry and diffraction structural study
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January 2014 |
Projector augmented-wave method
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December 1994 |
Impact of the Carbon Coating Thickness on the Electrochemical Performance of LiFePO[sub 4]/C Composites
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January 2005 |
The crystal structure of ε-VOPO4
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July 2006 |
A Computational Investigation of Li 9 M 3 (P 2 O 7 ) 3 (PO 4 ) 2 (M = V, Mo) as Cathodes for Li Ion Batteries
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January 2012 |
Electrochemical Property: Structure Relationships in Monoclinic Li 3 - y V 2 (PO 4 ) 3
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August 2003 |
Layered Lithium Vanadium Fluorophosphate, Li 5 V(PO 4 ) 2 F 2 : A 4 V Class Positive Electrode Material for Lithium-Ion Batteries
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July 2008 |
Crystal Structure of α-VPO 5
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August 1973 |
Crystal Chemistry of Electrochemically and Chemically Lithiated Layered α I -LiVOPO 4
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September 2015 |
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
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January 2011 |
Synthesis, Structure and Electrochemistry of Lithium Vanadium Phosphate Cathode Materials
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January 2011 |
Silicate cathodes for lithium batteries: alternatives to phosphates?
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January 2011 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
Particle Size Dependence of the Ionic Diffusivity
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October 2010 |
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
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August 1995 |
ε-VOPO[sub 4]: Electrochemical Synthesis and Enhanced Cathode Behavior
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January 2005 |
Vanadyl phosphates of VOPO4 as a cathode of Li-ion rechargeable batteries
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June 2003 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Effects of Na Substitution on Li Ion Migration in Li 2 CoSiO 4 Cathode Material
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January 2013 |
The Inorganic Crystal Structure Database (ICSD)—Present and Future
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January 2004 |
Electrochemical Behavior of Nanostructured ɛ-VOPO4 over Two Redox Plateaus
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January 2013 |
Improved initial guess for minimum energy path calculations
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June 2014 |
Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials
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February 2012 |
Ultimate Limits to Intercalation Reactions for Lithium Batteries
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October 2014 |
Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries
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April 1997 |
Highly Reversible Li Insertion at 4 V in ɛ-VOPO[sub 4]/α-LiVOPO[sub 4] Cathodes
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January 1999 |
Lithium Iron(II) Phospho-olivines Prepared by a Novel Carbothermal Reduction Method
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January 2003 |
Redox transformations of simple vanadium phosphates: the synthesis of ε-VOPO4
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April 1996 |
Towards the understanding of poor electrochemical activity of triclinic LiVOPO4: Experimental characterization and theoretical investigations
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October 2008 |
Phase transition induced by lithium insertion in αI- and αII-VOPO4
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August 2004 |
Interfacial Effects in ε-Li x VOPO 4 and Evolution of the Electronic Structure
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December 2015 |
Accurate treatment of solids with the HSE screened hybrid
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October 2010 |
Electrochemical and Thermal Properties of NASICON Structured Na 3 V 2 (PO 4 ) 3 as a Sodium Rechargeable Battery Cathode: A Combined Experimental and Theoretical Study
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January 2012 |
Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO 4 over Multiple Lithium Intercalation
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February 2016 |
Microwave-Assisted Solvothermal Synthesis and Characterization of Various Polymorphs of LiVOPO 4
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April 2013 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Ultrathin Nanosheets of Li 2 MSiO 4 (M = Fe, Mn) as High-Capacity Li-Ion Battery Electrode
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February 2012 |
Structure and Lithium Transport Pathways in Li 2 FeSiO 4 Cathodes for Lithium Batteries
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August 2011 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles
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February 2015 |
Uniform second Li ion intercalation in solid state ϵ-LiVOPO4
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August 2016 |
Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
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September 2011 |
A 3.4 V Layered VOPO 4 Cathode for Na-Ion Batteries
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January 2016 |
Li−Fe−P−O 2 Phase Diagram from First Principles Calculations
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February 2008 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
Factors that affect Li mobility in layered lithium transition metal oxides
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September 2006 |
A structural explanation for the polymorphism of the α form of anhydrous vanadyl phosphate
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December 1981 |
Electrochemical Properties of Beta-LiVOPO[sub 4] Prepared by Carbothermal Reduction
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January 2004 |
Li 2 MnSiO 4 Lithium Battery Material: Atomic-Scale Study of Defects, Lithium Mobility, and Trivalent Dopants
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November 2009 |
Chemical and Electrochemical Lithiation of LiVOPO 4 Cathodes for Lithium-Ion Batteries
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June 2014 |
Data-Driven First-Principles Methods for the Study and Design of Alkali Superionic Conductors
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September 2016 |
Explaining Performance-Limiting Mechanisms in Fluorophosphate Na-Ion Battery Cathodes through Inactive Transition-Metal Mixing and First-Principles Mobility Calculations
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August 2015 |
β-NaVOPO 4 Obtained by a Low-Temperature Synthesis Process: A New 3.3 V Cathode for Sodium-Ion Batteries
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February 2016 |
Crystal structure of βVPO5
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November 1972 |
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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December 2000 |
Li/β-VOPO[sub 4]: A New 4 V System for Lithium Batteries
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January 1999 |
The crystal structure of δ-VOPO4 and its relationship to ω-VOPO4
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July 2009 |
Exploration of NaVOPO4 as a cathode for a Na-ion battery
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January 2013 |
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
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February 2013 |