Electrical Energy Storage and Intercalation Chemistry
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June 1976 |
Phospho-olivines as Positive-Electrode Materials for Rechargeable Lithium Batteries
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April 1997 |
LixCoO2 (0<x<-1): A new cathode material for batteries of high energy density
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June 1980 |
Lithium Batteries and Cathode Materials
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October 2004 |
Ultimate Limits to Intercalation Reactions for Lithium Batteries
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October 2014 |
Chemistry of intercalation compounds: Metal guests in chalcogenide hosts
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January 1978 |
A thermodynamic study of sodium-intercalated TaS2 and TiS2
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September 1979 |
Electrochemical intercalation of sodium in NaxCoO2 bronzes
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August 1981 |
A novel sol–gel synthesis route to NaVPO4F as cathode material for hybrid lithium ion batteries
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October 2010 |
Na4Mn9O18 as a positive electrode material for an aqueous electrolyte sodium-ion energy storage device
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March 2010 |
Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials
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January 2011 |
P2-type Nax[Fe1/2Mn1/2]O2 made from earth-abundant elements for rechargeable Na batteries
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April 2012 |
Li ion diffusion measurements in V2O5 and Li(Co1−xAlx)O2 thin-film battery cathodes
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September 1999 |
Lithium Diffusion in Layered Li[sub x]CoO[sub 2]
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January 1999 |
Lithium Diffusion in Li[sub x]CoO[sub 2] (0.45 < x < 0.7) Intercalation Cathodes
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January 2001 |
First principles study of Li diffusion in structure
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January 2009 |
Li Conductivity in Li[sub x]MPO[sub 4] (M = Mn, Fe, Co, Ni) Olivine Materials
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January 2004 |
NMR, DSC and high pressure electrical conductivity studies of liquid and hybrid electrolytes
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September 1999 |
Electrolytes and Interphases in Li-Ion Batteries and Beyond
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October 2014 |
Lithium Lanthanum Titanates: A Review
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October 2003 |
Inorganic solid Li ion conductors: An overview
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June 2009 |
A lithium superionic conductor
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July 2011 |
Fast Na+-ion transport in skeleton structures
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February 1976 |
Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li 7 La 3 Zr 2 O 12
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January 2013 |
Synthesis of a new lithium ionic conductor, thio-LISICON–lithium germanium sulfide system
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May 2000 |
Design principles for solid-state lithium superionic conductors
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August 2015 |
Crystal structures and crystal chemistry in the system Na1+xZr2SixP3−xO12
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February 1976 |
Structural classification and properties of the layered oxides
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January 1980 |
Insights into Diffusion Mechanisms in P2 Layered Oxide Materials by First-Principles Calculations
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September 2014 |
Recharging lithium battery research with first-principles methods
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March 2011 |
Recent progress in cathode materials research for advanced lithium ion batteries
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May 2012 |
Recent Advances in First Principles Computational Research of Cathode Materials for Lithium-Ion Batteries
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April 2012 |
Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties
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January 2014 |
Kinetics of Materials
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September 2005 |
Frequency factors and isotope effects in solid state rate processes
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January 1957 |
A New Self-Consistent Empirical Interatomic Potential Model for Oxides, Silicates, and Silica-Based Glasses
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June 2006 |
Structural requirements for fast lithium ion migration in Li10GeP2S12
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January 2012 |
First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material
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December 2011 |
Phase stability, electrochemical stability and ionic conductivity of the Li 10±1 MP 2 X 12 (M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors
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January 2013 |
Unified Approach for Molecular Dynamics and Density-Functional Theory
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November 1985 |
One-dimensional stringlike cooperative migration of lithium ions in an ultrafast ionic conductor
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July 2012 |
Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries
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February 2006 |
Structural and Electrochemical Characterizations of P2 and New O3-Na x Mn 1-y Fe y O 2 Phases Prepared by Auto-Combustion Synthesis for Na-Ion Batteries
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January 2013 |
Atomistic Simulation Studies of Lithium and Proton Insertion in Spinel Lithium Manganates
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October 1997 |
Ab initio molecular-dynamics studies on Li x Mn 2 O 4 as cathode material for lithium secondary batteries
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July 2004 |
Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods
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August 2010 |
Electronic, Structural, and Electrochemical Properties of LiNi x Cu y Mn 2– x – y O 4 (0 < x < 0.5, 0 < y < 0.5) High-Voltage Spinel Materials
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June 2011 |
First-principles study of lithium ion migration in lithium transition metal oxides with spinel structure
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January 2012 |
Phase Stability of Post-spinel Compound AMn 2 O 4 (A = Li, Na, or Mg) and Its Application as a Rechargeable Battery Cathode
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July 2013 |
A Survey of first-row ternary oxides LiMO2 (M = Sc-Cu)
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January 1987 |
The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
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May 2014 |
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
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January 2014 |
Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations
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August 2011 |
Atomic-Scale Investigation of Defects, Dopants, and Lithium Transport in the LiFePO 4 Olivine-Type Battery Material
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October 2005 |
Particle Size Dependence of the Ionic Diffusivity
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October 2010 |
Structure and Stability of Sodium Intercalated Phases in Olivine FePO 4
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July 2010 |
Characterization of Na-based phosphate as electrode materials for electrochemical cells
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November 2011 |
Reversible NaFePO4 electrode for sodium secondary batteries
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August 2012 |
Synthesis and Crystal Structure of Maricite and Sodium Iron(III) Hydroxyphosphate
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March 1998 |
Na-ion mobility in layered Na2FePO4F and olivine Na[Fe,Mn]PO4
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January 2013 |
Pyrophosphate Chemistry toward Safe Rechargeable Batteries
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June 2013 |
High-Voltage Pyrophosphate Cathodes
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May 2012 |
Neutron and X-ray Diffraction Study of Pyrophosphate-Based Li 2– x MP 2 O 7 (M = Fe, Co) for Lithium Rechargeable Battery Electrodes
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September 2011 |
New Iron-Based Mixed-Polyanion Cathodes for Lithium and Sodium Rechargeable Batteries: Combined First Principles Calculations and Experimental Study
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June 2012 |
High-Voltage Pyrophosphate Cathode: Insights into Local Structure and Lithium-Diffusion Pathways
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November 2012 |
Highly Reversible Li Insertion at 4 V in ɛ-VOPO[sub 4]/α-LiVOPO[sub 4] Cathodes
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January 1999 |
Electrochemical Insertion Properties of the Novel Lithium Vanadium Fluorophosphate, LiVPO[sub 4]F
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January 2003 |
A Symmetrical Lithium-Ion Cell Based on Lithium Vanadium Fluorophosphate, LiVPO[sub 4]F
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January 2005 |
Structural and electrochemical properties of lithium vanadium fluorophosphate, LiVPO4F
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August 2005 |
LiVPO4F: A new active material for safe lithium-ion batteries
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October 2006 |
Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
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September 2011 |
Phase stability and its impact on the electrochemical performance of VOPO 4 and LiVOPO 4
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January 2014 |
A β-VOPO4/ε-VOPO4 composite Li-ion battery cathode
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September 2014 |
Cathodic performance of VOPO4 with various crystal phases for Li ion rechargeable battery
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November 2002 |
Vanadyl phosphates of VOPO4 as a cathode of Li-ion rechargeable batteries
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June 2003 |
Positive electrode materials for lithium batteries based on VOPO4
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April 2001 |
Phase transition induced by lithium insertion in αI- and αII-VOPO4
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August 2004 |
Chemical and Electrochemical Lithiation of LiVOPO 4 Cathodes for Lithium-Ion Batteries
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June 2014 |
Microwave-Assisted Solvothermal Synthesis and Characterization of Various Polymorphs of LiVOPO 4
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April 2013 |
ε-VOPO[sub 4]: Electrochemical Synthesis and Enhanced Cathode Behavior
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January 2005 |
Simulated defect and interface engineering for high power Li electrode materials
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March 2011 |
Hybrid Density Functional Calculations and Molecular Dynamics Study of Lithium Fluorosulphate, A Cathode Material for Lithium-Ion Batteries
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December 2010 |
Li-ion migration in Li2FeSiO4-related cathode materials: A DFT study
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June 2011 |
Structural changes on cycling Li2FeSiO4 polymorphs from DFT calculations
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journal
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November 2012 |
Structural stabilities, electronic structures and lithium deintercalation in LixMSiO4 (M=Mn, Fe, Co, Ni): A GGA and GGA+U study
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journal
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February 2009 |
On-demand design of polyoxianionic cathode materials based on electronegativity correlations: An exploration of the Li2MSiO4 system (M=Fe, Mn, Co, Ni)
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August 2006 |
Ab initio calculations on Li-ion migration in Li 2 FeSiO 4 cathode material with a P2 1 symmetry structure
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October 2011 |
Crystal Structure, Energetics, And Electrochemistry of Li 2 FeSiO 4 Polymorphs from First Principles Calculations
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December 2011 |
Insights into Changes in Voltage and Structure of Li 2 FeSiO 4 Polymorphs for Lithium-Ion Batteries
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May 2012 |
On the Energetic Stability and Electrochemistry of Li 2 MnSiO 4 Polymorphs
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September 2008 |
Multicomponent Silicate Cathode Materials for Rechargeable Li-Ion Batteries: An Ab Initio Study
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November 2012 |
Polymorphism and phase transformations of Li FeSiO ( ) from first principles
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December 2011 |
Li 2 MnSiO 4 Lithium Battery Material: Atomic-Scale Study of Defects, Lithium Mobility, and Trivalent Dopants
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November 2009 |
A Full Interionic Potential for Na 1+ x Zr 2 Si x P 3- x O 12 Superionic Conductors
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journal
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April 2002 |
Structure, Conductivity, and Ionic Motion in Na 1+ x Zr 2 Si x P 3 - x O 12 : A Simulation Study
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July 2002 |
Lithium Ion Conduction in LiTi 2 (PO 4 ) 3 and Related Compounds Based on the NASICON Structure: A First-Principles Study
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July 2015 |
High ionic conductivity in lithium lanthanum titanate
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June 1993 |
First-Principles Modeling of Lithium Ordering in the LLTO (Li x La 2/3 - x /3 TiO 3 ) Superionic Conductor
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August 2007 |
Local structure of the Li 1/8 La 5/8 TiO 3 (LLTO) ionic conductor by theoretical simulations
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June 2008 |
Ion Mobility Pathways of the Li + Conductor Li 0.125 La 0.625 TiO 3 by Ab Initio Simulations
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journal
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June 2008 |
Short-range order and Li+ ion diffusion mechanisms in Li5La9□2(TiO3)16 (LLTO)
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journal
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February 2011 |
Domain boundaries and their influence on Li migration in solid-state electrolyte (La,Li)TiO3
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February 2015 |
Fast Lithium Ion Conduction in Garnet-Type Li7La3Zr2O12
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journal
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October 2007 |
Synthesis and structure analysis of tetragonal Li7La3Zr2O12 with the garnet-related type structure
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August 2009 |
Solid-State Electrolytes: Revealing the Mechanisms of Li-Ion Conduction in Tetragonal and Cubic LLZO by First-Principles Calculations
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March 2014 |
Ion transport and phase transition in Li 7−x La 3 (Zr 2−x M x )O 12 (M = Ta 5+ , Nb 5+ , x = 0, 0.25)
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journal
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January 2012 |
Origin of the Structural Phase Transition in
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journal
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November 2012 |
Crystal Chemistry and Stability of “Li7La3Zr2O12 ” Garnet: A Fast Lithium-Ion Conductor
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journal
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February 2011 |
Structure and dynamics of the fast lithium ion conductor “Li7La3Zr2O12”
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journal
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January 2011 |
Effect of Rb and Ta Doping on the Ionic Conductivity and Stability of the Garnet Li 7+2 x – y (La 3– x Rb x )(Zr 2– y Ta y )O 12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic Conductor: A First Principles Investigation
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journal
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July 2013 |
Effects of penta- and trivalent dopants on structure and conductivity of Li7La3Zr2O12
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June 2015 |
Effects of Gallium Doping in Garnet-Type Li 7 La 3 Zr 2 O 12 Solid Electrolytes
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April 2015 |
Solid-state thin-film rechargeable batteries
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February 2005 |
Li Ion Diffusion Mechanisms in the Crystalline Electrolyte γ-Li[sub 3]PO[sub 4]
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January 2007 |
Mechanisms of diffusion in crystalline - and electrolytes from first principles
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journal
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November 2007 |
Effects of O vacancies and N or Si substitutions on migration in electrolytes from first principles
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November 2008 |
Computer modeling of lithium phosphate and thiophosphate electrolyte materials
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August 2011 |
Computer Modeling of Crystalline Electrolytes: Lithium Thiophosphates and Phosphates
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January 2012 |
Structures, Li mobilities, and interfacial properties of solid electrolytes Li PS and Li PO from first principles
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September 2013 |
A sulphide lithium super ion conductor is superior to liquid ion conductors for use in rechargeable batteries
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journal
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January 2014 |
Structures, Thermodynamics, and Li + Mobility of Li 10 GeP 2 S 12 : A First-Principles Analysis
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journal
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May 2014 |
Li 10 SnP 2 S 12 : An Affordable Lithium Superionic Conductor
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journal
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October 2013 |
A new ultrafast superionic Li-conductor: ion dynamics in Li 11 Si 2 PS 12 and comparison with other tetragonal LGPS-type electrolytes
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January 2014 |
Superionic glass-ceramic electrolytes for room-temperature rechargeable sodium batteries
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January 2012 |
High sodium ion conductivity of glass–ceramic electrolytes with cubic Na3PS4
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July 2014 |
Preparation and characterization of highly sodium ion conducting Na 3 PS 4 –Na 4 SiS 4 solid electrolytes
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January 2014 |
Role of Na + Interstitials and Dopants in Enhancing the Na + Conductivity of the Cubic Na 3 PS 4 Superionic Conductor
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journal
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December 2015 |
Superionic Conductivity in Lithium-Rich Anti-Perovskites
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August 2012 |
Ab initio study of the stabilities of and mechanism of superionic transport in lithium-rich antiperovskites
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April 2013 |
Phase Stability and Transport Mechanisms in Antiperovskite Li 3 OCl and Li 3 OBr Superionic Conductors
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November 2013 |
Rational Composition Optimization of the Lithium-Rich Li 3 OCl 1– x Br x Anti-Perovskite Superionic Conductors
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May 2015 |
Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
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September 2010 |
Lithium Diffusion in Graphitic Carbon
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March 2010 |
Diffusion of alkali metals in the first stage graphite intercalation compounds by vdW-DFT calculations
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January 2015 |
Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods
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November 2014 |
Theoretical Study of Li Migration in Lithium–Graphite Intercalation Compounds with Dispersion-Corrected DFT Methods
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January 2014 |
Edge Effects on the Characteristics of Li Diffusion in Graphene
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August 2010 |
First-Principles Study of Lithium Adsorption and Diffusion on Graphene with Point Defects
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October 2012 |
Diffusion Mechanism of Lithium Ion through Basal Plane of Layered Graphene
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May 2012 |
Adsorption and Diffusion of Li on Pristine and Defective Graphene
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May 2012 |
Li diffusion through doped and defected graphene
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January 2013 |
The Mixing Mechanism during Lithiation of Si Negative Electrode in Li-Ion Batteries: An Ab Initio Molecular Dynamics Study
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December 2011 |
Controlling Diffusion of Lithium in Silicon Nanostructures
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March 2010 |
Lithium intercalation behaviors in Ge and Sn crystalline surfaces
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January 2013 |
First Principles Calculation of the Interdiffusion Coefficient in Binary Alloys
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February 2005 |
Lithium diffusion in the spinel phase and in the rocksalt phase of lithium titanate from first principles
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May 2014 |
Lithium Insertion and Transport in the TiO 2 −B Anode Material: A Computational Study
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October 2009 |
A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries
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September 2010 |
Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase
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September 2012 |
General method to predict voltage-dependent ionic conduction in a solid electrolyte coating on electrodes
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April 2015 |
Lithium Transport in Amorphous Al 2 O 3 and AlF 3 for Discovery of Battery Coatings
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journal
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April 2013 |
How Do Li Atoms Pass through the Al 2 O 3 Coating Layer during Lithiation in Li-ion Batteries?
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July 2013 |
Sodium Ion Diffusion in Al 2 O 3 : A Distinct Perspective Compared with Lithium Ion Diffusion
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October 2014 |
A high-throughput infrastructure for density functional theory calculations
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June 2011 |
FireWorks: a dynamic workflow system designed for high-throughput applications: FireWorks: A Dynamic Workflow System Designed for High-Throughput Applications
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May 2015 |
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
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February 2013 |
The Electrolyte Genome project: A big data approach in battery materials discovery
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June 2015 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
High-Voltage Pyrophosphate Cathode: Insights into Local Structure and Lithium-Diffusion Pathways
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journal
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November 2012 |
Lithium Batteries and Cathode Materials
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journal
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December 2004 |
Computer Modeling of Crystalline Electrolytes - Lithium Thiophosphates and Phosphates
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conference
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January 2011 |
Lithium Lanthanum Titanates: A Review
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journal
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December 2003 |
Electrodes with High Power and High Capacity for Rechargeable Lithium Batteries.
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journal
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May 2006 |
Fast Lithium Ion Conduction in Garnet-Type Li7La3Zr2O12.
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journal
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December 2007 |
Computer Modeling of Crystalline Electrolytes - Lithium Thiophosphates and Phosphates
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journal
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March 2011 |