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First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/aenm.201200593openalex-snapshot
High‐Throughput Computational Screening of New Li‐Ion Battery Anode Materials
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Thermodynamic Aspects of Cathode Coatings for Lithium‐Ion Batteries
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Structural Stability of LiCoO2 at 400°C
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Preparation and Characterization
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Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
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Structure and electrochemistry of lithium cobalt oxide synthesised at 400°C
inferredcites →https://doi.org/10.1016/0025-5408(93)90157-9openalex-snapshot
Spinel versus layered structures for lithium cobalt oxide synthesised at 400°C
inferredcites →https://doi.org/10.1016/0167-2738(92)90447-wopenalex-snapshot
Lithium-cobalt-nickel-oxide cathode materials prepared at 400$deg;C for rechargeable lithium batteries
inferredcites →https://doi.org/10.1016/0167-2738(93)90251-wopenalex-snapshot
Synthesis and electrochemistry of spinel LTLiCoO2
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Generating derivative structures at a fixed concentration
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Symmetry building Monte Carlo-based crystal structure prediction
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Synthesis of layered–layered xLi2MnO3·(1−x)LiMO2 (M = Mn, Ni, Co) nanocomposite electrodes materials by mechanochemical process
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Intermediate phases in sodium intercalation into MoS2 nanosheets and their implications for sodium-ion batteries
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First principles phonon calculations in materials science
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Electronic structure of the transition metal ions in LiCoO2, LiNiO2 and LiCo0.5Ni0.5O2
inferredcites →https://doi.org/10.1021/acs.accounts.5b00277openalex-snapshot
Review of the U.S. Department of Energy’s “Deep Dive” Effort to Understand Voltage Fade in Li- and Mn-Rich Cathodes
inferredcites →https://doi.org/10.1021/acs.chemmater.5b04994openalex-snapshot
Exploration of a Metastable Normal Spinel Phase Diagram for the Quaternary Li–Ni–Mn–Co–O System
inferredcites →https://doi.org/10.1021/acs.chemmater.7b02058openalex-snapshot
Revealing the Conversion Mechanism of Transition Metal Oxide Electrodes during Lithiation from First-Principles
inferredcites →https://doi.org/10.1021/acs.jpcc.5b06240openalex-snapshot
van der Waals Interactions in Layered Lithium Cobalt Oxides
inferredcites →https://doi.org/10.1021/acsami.5b08906openalex-snapshot
Layered-Layered-Spinel Cathode Materials Prepared by a High-Energy Ball-Milling Process for Lithium-ion Batteries
inferredcites →https://doi.org/10.1021/acsami.6b09073openalex-snapshot
Exploring Lithium-Cobalt-Nickel Oxide Spinel Electrodes for ≥3.5 V Li-Ion Cells
inferredcites →https://doi.org/10.1021/acsnano.6b04519openalex-snapshot
Electrochemistry of Selenium with Sodium and Lithium: Kinetics and Reaction Mechanism
inferredcites →https://doi.org/10.1021/ja312527xopenalex-snapshot
Direct Observation of a Metastable Crystal Phase of Li x FePO 4 under Electrochemical Phase Transition
inferredcites →https://doi.org/10.1021/jp0676890openalex-snapshot
Preparation and Characterization of LiNi0.5Co0.5O2 and LiNi0.5Co0.4Al0.1O2 by Molten Salt Synthesis for Li Ion Batteries
inferredcites →https://doi.org/10.1021/jp312658qopenalex-snapshot
Examining Hysteresis in Composite xLi2MnO3·(1–x)LiMO2 Cathode Structures
inferredcites →https://doi.org/10.1038/ncomms13779openalex-snapshot
High-throughput computational design of cathode coatings for Li-ion batteries
inferredcites →https://doi.org/10.1038/npjcompumats.2015.10openalex-snapshot
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
inferredcites →https://doi.org/10.1038/srep04847openalex-snapshot
Mechanochemical Synthesis of Li2MnO3 Shell/LiMO2 (M = Ni, Co, Mn) Core-Structured Nanocomposites for Lithium-Ion Batteries
inferredcites →https://doi.org/10.1039/b702425hopenalex-snapshot
Li2MnO3-stabilized LiMO2 (M = Mn, Ni, Co) electrodes for lithium-ion batteries
inferredcites →https://doi.org/10.1039/c2ee21892eopenalex-snapshot
Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries
inferredcites →https://doi.org/10.1039/c3cp50910aopenalex-snapshot
Relative stability of normal vs. inverse spinel for 3d transition metal oxides as lithium intercalation cathodes
inferredcites →https://doi.org/10.1039/c5cp02943kopenalex-snapshot
First-charge instabilities of layered-layered lithium-ion-battery materials
inferredcites →https://doi.org/10.1039/c5ta02540kopenalex-snapshot
A green recycling process designed for LiFePO 4 cathode materials for Li-ion batteries
inferredcites →https://doi.org/10.1039/c7ee01782kopenalex-snapshot
Material design of high-capacity Li-rich layered-oxide electrodes: Li 2 MnO 3 and beyond
inferredcites →https://doi.org/10.1063/1.1323224openalex-snapshot
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
inferredcites →https://doi.org/10.1063/1.1329672openalex-snapshot
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.1564060openalex-snapshot
Hybrid functionals based on a screened Coulomb potential
inferredcites →https://doi.org/10.1063/1.1724816openalex-snapshot
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems
inferredcites →https://doi.org/10.1063/1.2204597openalex-snapshot
Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
inferredcites →https://doi.org/10.1063/1.3512900openalex-snapshot
Crystal structure prediction using the minima hopping method
inferredcites →https://doi.org/10.1063/1.3530590openalex-snapshot
Efficient moves for global geometry optimization methods and their application to binary systems
inferredcites →https://doi.org/10.1063/1.4812323openalex-snapshot
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
inferredcites →https://doi.org/10.1088/0953-8984/22/2/022201openalex-snapshot
Chemical accuracy for the van der Waals density functional
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.57.1505openalex-snapshot
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
inferredcites →https://doi.org/10.1103/physrevb.57.2242openalex-snapshot
Cation and vacancy ordering in LixCoO2
inferredcites →https://doi.org/10.1103/physrevb.58.2975openalex-snapshot
First-principles investigation of phase stability in Li x CoO 2
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.59.742openalex-snapshot
Electrochemical properties of spinel LixCoO2: A first-principles investigation
inferredcites →https://doi.org/10.1103/physrevb.77.224115openalex-snapshot
Algorithm for generating derivative structures
inferredcites →https://doi.org/10.1103/physrevb.80.014120openalex-snapshot
Generating derivative structures from multilattices: Algorithm and application to hcp alloys
inferredcites →https://doi.org/10.1103/physrevb.83.195131openalex-snapshot
Van der Waals density functionals applied to solids
inferredcites →https://doi.org/10.1103/physrevb.86.224110openalex-snapshot
Low-energy structures of zinc borohydride Zn(BH 4 ) 2
inferredcites →https://doi.org/10.1103/physrevb.95.094104openalex-snapshot
Understanding the evolution of anomalous anharmonicity in Bi2Te3−xSex
inferredcites →https://doi.org/10.1103/physreve.77.056707openalex-snapshot
Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization
inferredcites →https://doi.org/10.1103/physrevlett.108.065501openalex-snapshot
Crystal Structure of Cold Compressed Graphite
inferredcites →https://doi.org/10.1103/physrevlett.108.205505openalex-snapshot
Novel Structural Motifs in Low Energy Phases of LiAlH4
inferredcites →https://doi.org/10.1103/physrevlett.81.606openalex-snapshot
First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in Li x CoO 2
inferredcites →https://doi.org/10.1103/physrevlett.86.5518openalex-snapshot
Entropically Favored Ordering: The Metallurgy of Al2Cu Revisited
inferredcites →https://doi.org/10.1107/s0021889811038970openalex-snapshot
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
inferredcites →https://doi.org/10.1149/1.1391631openalex-snapshot
TEM Study of Electrochemical Cycling‐Induced Damage and Disorder in LiCoO2 Cathodes for Rechargeable Lithium Batteries
inferredcites →https://doi.org/10.1149/1.1393408openalex-snapshot
Synthesis and Electrode Properties of Metastable Li[sub 2]Mn[sub 4]O[sub 9−δ] Spinel Oxides
inferredcites →https://doi.org/10.1149/1.1431574openalex-snapshot
Synthesis and Electrochemical Properties of LiCo[sub 2]O[sub 4] Spinel Cathodes
inferredcites →https://doi.org/10.1149/1.1738677openalex-snapshot
Hexagonal to Cubic Spinel Transformation in Lithiated Cobalt Oxide
inferredcites →https://doi.org/10.1149/1.1836594openalex-snapshot
CoO2, The End Member of the Li x CoO2 Solid Solution
inferredcites →https://doi.org/10.1149/1.1838610openalex-snapshot
First‐Principles Evidence for Stage Ordering in Li x CoO2
inferredcites →https://doi.org/10.1149/1.1838653openalex-snapshot
Prediction of Li Intercalation and Battery Voltages in Layered vs. Cubic Li x CoO2
inferredcites →https://doi.org/10.1149/2.0681414jesopenalex-snapshot
Advances in Stabilizing ‘Layered-Layered’ xLi2MnO3·(1-x)LiMO2(M=Mn, Ni, Co) Electrodes with a Spinel Component
inferredcites →https://doi.org/10.1149/2.0961409jesopenalex-snapshot
Prediction of Quaternary Spinel Oxides as Li-Battery Cathodes: Cation Site Preference, Metal Mixing, Voltage and Phase Stability

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4644523openalex-extracted
Synthesis of High-Voltage Spinel Lini0.5mn1.5o4 by Mn2o3 Nanosheets for Lithium-Ion Batteries with Superior Cycle Life Span
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inferred← citeshttps://doi.org/10.1002/adsu.202501240openalex-snapshot
Precursor Engineering for Kinetically Controlled Synthesis of Crack‐Resistant LiCoO 2 Cathodes
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Upcycling Spent LiCoO 2 Cathodes via Surface Spinel Reconstruction for Efficient Furfural Hydrogenation
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Advances of LiCoO2 in Cathode of Aqueous Lithium‐Ion Batteries
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Thin Film Battery with Epitaxial LiCoO2 Cathode
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Material design modelling for optimisation of lithium battery fast charging
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Batteries for aeronautics and space exploration: Recent developments and future prospects
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MCTSGT: A graph theory-based Monte Carlo tree strategy for configuration search in disordered structures
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Synthesis of co-doped high voltage lithium cobalt oxide with high rate electrochemical performance
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Formulating the Li sites of Li-CoOx composites for achieving high-efficiency oxidation removal of formaldehyde over the Ag/Li-CoOx catalyst under ambient conditions
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Synthesis of high-voltage spinel LiNi0.5Mn1.5O4 by Mn2O3 nanosheets for lithium-ion batteries with superior cycle life span
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Crystalline/amorphous LiCoO2–Li2SO4 nanoheterostructured materials for high-voltage all-solid-state lithium batteries
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Kinetic Pathways Templated by Low-Temperature Intermediates during Solid-State Synthesis of Layered Oxides
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Real-Time Crystallization of LiCoO2from β-Co(OH)2and Co3O4: Synthetic Pathways and Structural Evolution
inferred← citeshttps://doi.org/10.1021/acs.chemmater.5c01173openalex-snapshot
Thermodynamic and Kinetic Mechanisms Governing the Synthesis of Nickel-Poor Cathodes
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Mechanistic Insights into Moisture-Assisted Low-Temperature Synthesis of LiCoO2 Revealed by In Situ X-ray Absorption Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.3c01704openalex-snapshot
Kinetically Enhanced Reaction Pathway to Form Highly Crystalline Layered LiCoO2 at Low Temperatures Below 300 °C
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c10156openalex-snapshot
Electrochemical Performance and Structures of Chromium and Molybdenum-Doped ε-LixVOPO4 Predicted as Promising Cathodes for Next Generation Lithium-Ion Batteries
inferred← citeshttps://doi.org/10.1021/acsaem.0c01973openalex-snapshot
High-Rate Capability of LiCoO2 Cathodes
inferred← citeshttps://doi.org/10.1021/acsaem.1c02512openalex-snapshot
STEM-EELS Spectrum Imaging of an Aerosol-Deposited NASICON-Type LATP Solid Electrolyte and LCO Cathode Interface
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Formation of Pillar-Ions in the Li Layer Decreasing the Li/Ni Disorder and Improving the Structural Stability of Cation-Doped Ni-Rich LiNi0.8Co0.1Mn0.1O2: A First-Principles Verification
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Zero-Strain Cathodes for Lithium-Based Rechargeable Batteries: A Comprehensive Review
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Lithiated Spinel LiCo 1– x Al x O 2 as a Stable Zero-Strain Cathode
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Rapid, Direct Regeneration of Spent LiCoO 2 Cathodes for Li-Ion Batteries
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Ab initio random structure searching for battery cathode materials
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Reflections on one million compounds in the open quantum materials database (OQMD)
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Recent Advances in LiFePO4 Cathode Materials for Lithium-Ion Batteries. First-Principles Research
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