Spinel versus layered structures for lithium cobalt oxide synthesised at 400°C
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March 1993 |
Cation and vacancy ordering in
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January 1998 |
Prediction of Li Intercalation and Battery Voltages in Layered vs. Cubic Li[sub x]CoO[sub 2]
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January 1998 |
First-Principles Evidence for Stage Ordering in Li[sub x]CoO[sub 2]
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January 1998 |
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in
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July 1998 |
First-principles investigation of phase stability in
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August 1998 |
Electrochemical properties of spinel A first-principles investigation
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January 1999 |
TEM Study of Electrochemical Cycling-Induced Damage and Disorder in LiCoO[sub 2] Cathodes for Rechargeable Lithium Batteries
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January 1999 |
Hexagonal to Cubic Spinel Transformation in Lithiated Cobalt Oxide
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January 2004 |
Synthesis and Electrochemical Properties of LiCo[sub 2]O[sub 4] Spinel Cathodes
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January 2002 |
Structure and electrochemistry of lithium cobalt oxide synthesised at 400°C
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March 1992 |
Lithium-cobalt-nickel-oxide cathode materials prepared at 400°C for rechargeable lithium batteries
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July 1992 |
Synthesis and electrochemistry of spinel LTLiCoO2
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July 1993 |
van der Waals Interactions in Layered Lithium Cobalt Oxides
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August 2015 |
Advances in Stabilizing ‘Layered-Layered’ xLi2MnO3·(1-x)LiMO2(M=Mn, Ni, Co) Electrodes with a Spinel Component
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January 2014 |
Exploring Lithium-Cobalt-Nickel Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells
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October 2016 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
Hybrid functionals based on a screened Coulomb potential
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May 2003 |
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
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June 2006 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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October 2011 |
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
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June 2004 |
Crystal structure prediction using the minima hopping method
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December 2010 |
Crystal Structure of Cold Compressed Graphite
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February 2012 |
Novel Structural Motifs in Low Energy Phases of
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May 2012 |
Understanding the evolution of anomalous anharmonicity in
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March 2017 |
Low-energy structures of zinc borohydride Zn(BH )
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December 2012 |
Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization
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May 2008 |
Efficient moves for global geometry optimization methods and their application to binary systems
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January 2011 |
First principles phonon calculations in materials science
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November 2015 |
Symmetry building Monte Carlo-based crystal structure prediction
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May 2014 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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December 2000 |
Generating derivative structures from multilattices: Algorithm and application to hcp alloys
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July 2009 |
Generating derivative structures at a fixed concentration
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June 2012 |
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
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September 2013 |
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
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December 2015 |
Chemical accuracy for the van der Waals density functional
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December 2009 |
Van der Waals density functionals applied to solids
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May 2011 |
Layered-Layered-Spinel Cathode Materials Prepared by a High-Energy Ball-Milling Process for Lithium-ion Batteries
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December 2015 |
Structural Stability of LiCoO2 at 400°C
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October 2002 |
Entropically Favored Ordering: The Metallurgy of Revisited
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June 2001 |
CoO2, The End Member of the LixCoO2 Solid Solution
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January 1996 |
Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles
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October 2017 |
Electrochemistry of Selenium with Sodium and Lithium: Kinetics and Reaction Mechanism
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August 2016 |
Intermediate phases in sodium intercalation into MoS2 nanosheets and their implications for sodium-ion batteries
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August 2017 |
Direct Observation of a Metastable Crystal Phase of Li x FePO 4 under Electrochemical Phase Transition
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April 2013 |
A green recycling process designed for LiFePO 4 cathode materials for Li-ion batteries
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January 2015 |
Synthesis and Electrode Properties of Metastable Li[sub 2]Mn[sub 4]O[sub 9−δ] Spinel Oxides
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January 2000 |
Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes
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January 2013 |
Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries
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January 2012 |
Li2MnO3-stabilized LiMO2 (M = Mn, Ni, Co) electrodes for lithium-ion batteries
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January 2007 |
Synthesis of layered–layered xLi2MnO3·(1−x)LiMO2 (M = Mn, Ni, Co) nanocomposite electrodes materials by mechanochemical process
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December 2012 |
Mechanochemical Synthesis of Li2MnO3 Shell/LiMO2 (M = Ni, Co, Mn) Core-Structured Nanocomposites for Lithium-Ion Batteries
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May 2014 |
First-charge instabilities of layered-layered lithium-ion-battery materials
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January 2015 |
Review of the U.S. Department of Energy’s “Deep Dive” Effort to Understand Voltage Fade in Li- and Mn-Rich Cathodes
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October 2015 |
Examining Hysteresis in Composite x Li 2 MnO 3 ·(1– x )LiMO 2 Cathode Structures
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March 2013 |
Prediction of Quaternary Spinel Oxides as Li-Battery Cathodes: Cation Site Preference, Metal Mixing, Voltage and Phase Stability
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January 2014 |
Exploration of a Metastable Normal Spinel Phase Diagram for the Quaternary Li–Ni–Mn–Co–O System
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February 2016 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
High-Throughput Computational Screening of New Li-Ion Battery Anode Materials
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September 2012 |
Material design of high-capacity Li-rich layered-oxide electrodes: Li 2 MnO 3 and beyond
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January 2017 |
Thermodynamic Aspects of Cathode Coatings for Lithium-Ion Batteries
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August 2014 |
High-throughput computational design of cathode coatings for Li-ion batteries
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December 2016 |
Preparation and Characterization of LiNi 0.5 Co 0.5 O 2 and LiNi 0.5 Co 0.4 Al 0.1 O 2 by Molten Salt Synthesis for Li Ion Batteries
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August 2007 |
Electronic structure of the transition metal ions in LiCoO2, LiNiO2 and LiCo0.5Ni0.5O2
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August 1999 |