Understanding Li diffusion in Li-intercalation compounds.

No abstract is available for this paper.

• Publication year

  2013

• Venue

  Accounts of Chemical Research

• Publication date

  2013-05-21

• Fields of study

  Medicine, Materials Science, Chemistry

• Identifiers
  DOI 10.1021/ar200329rPMID 22584006
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• First-principles study of competing mechanisms of nondilute Li diffusion in spinel Li x TiS 2

  2011cited by this paper
• Factors affecting Li mobility in spinel LiMn2O4—A first-principles study by GGA and GGA+U methods

  2010cited by this paper
• Phase stability and nondilute Li diffusion in spinel Li 1 + x Ti 2 O 4

  2010cited by this paper
• Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations

  2010cited by this paper
• The electronic structure and ionic diffusion of nanoscale LiTiO2 anatase.

  2009cited by this paper
• Nondilute diffusion from first principles: Li diffusion in Li x TiS 2

  2008cited by this paper
• First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound

  2008cited by this paper
• From ultraslow to fast lithium diffusion in the 2D ion conductor Li0.7TiS2 probed directly by stimulated-echo NMR and nuclear magnetic relaxation.

  2006cited by this paper
• Configurational electronic entropy and the phase diagram of mixed-valence oxides: the case of LixFePO4.

  2006cited by this paper
• Small polaron hopping in Li(x)FePO4 solid solutions: coupled lithium-ion and electron mobility.

  2006cited by this paper
• Ab initio study of the migration of small polarons in olivine Li x FePO 4 and their association with lithium ions and vacancies

  2006cited by this paper
• Factors that affect Li mobility in layered lithium transition metal oxides

  2006cited by this paper
• Lithium batteries and cathode materials.

  2004cited by this paper
• NMR studies of cathode materials for lithium-ion rechargeable batteries.

  2004cited by this paper
• Ordering in Lix(Ni0.5Mn0.5)O2 and its relation to charge capacity and electrochemical behavior in rechargeable lithium batteries

  2004cited by this paper
• Li Conductivity in Li x MPO 4 ( M = Mn , Fe , Co , Ni ) Olivine Materials

  2004cited by this paper
• Staging Phase Transitions in Li x CoO2

  2002cited by this paper
• Equilibrium lithium transport between nanocrystalline phases in intercalated TiO2 anatase

  2002cited by this paper
• Lithium dynamics in LiMn2O4 probed directly by two-dimensional (7)Li NMR.

  2001cited by this paper
• First-principles theory of ionic diffusion with nondilute carriers

  2001cited by this paper
• Lithium diffusion mechanisms in layered intercalation compounds

  2001cited by this paper
• Lithium Diffusion in LixCoO2 (0.45 < x < 0.7) Intercalation Cathodes

  2001cited by this paper
• Lithium Diffusion in Layered Li x CoO2

  1999cited by this paper
• First-Principles Prediction of Vacancy Order-Disorder and Intercalation Battery Voltages in Li x CoO 2

  1998cited by this paper
• First-principles investigation of phase stability in Li x CoO 2

  1998cited by this paper
• First‐Principles Evidence for Stage Ordering in Li x CoO2

  1998cited by this paper
• CoO2, the end member of the LixCoO2 solid solution

  1996cited by this paper
• Diffusion of adsorbates on metal surfaces

  1990cited by this paper
• Chemical diffusion in the lattice gas of non-interacting particles

  1981cited by this paper
• Structural classification and properties of the layered oxides

  1980cited by this paper
• Elementary Derivation of Time‐Correlation Formulas for Transport Coefficients

  1964cited by this paper
• Frequency factors and isotope effects in solid state rate processes

  1957cited by this paper

• Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation.

  2026cites this paper
• Lithium transport from operando microscopy: Kinetic trapping in lithium manganese oxide

  2026cites this paper
• Advanced lithium-ion battery internal resistance estimation for electric vehicles integrating optimized techniques

  2026cites this paper
• Investigating the effect of the electrolyte variation on the supercapacitor performance of hydrothermally synthesized cobalt-manganese layered double hydroxide nanospikes

  2026cites this paper
• Structural insights and predictive screening of ion transport in Li-rich alloys via neuroevolution potentials

  2026cites this paper
• Comprehensive parameter and electrochemical dataset for a 1 Ah graphite/LNMO battery cell for physical modelling as a blueprint for data reporting in battery research

  2026cites this paper
• Unlocking Lithium Superionic Conduction via Phonon Softness Descriptors: A High-Throughput Machine Learning Paradigm

  2026cites this paper
• Structural and Electrochemical Investigation of Ni- and Mn-Based Disordered Rock Salt Cathode Materials without d0 Elements.

  2026cites this paper
• Rational design and functionalization of covalent organic frameworks for multivalent metal ion storage

  2026cites this paper
• Revealing the hidden structural complexity of high-capacity oxide cathodes through advanced characterizations

  2026cites this paper
• Visualizing and Understanding the Reaction-Coupled Ion Grotthuss Transport in Single-Crystal Organic Battery.

  2026cites this paper
• The progress and promise for metal–organic framework-mediated synthesis of lithium-ion battery cathode materials

  2025cites this paper
• Quantitative Operando EPR Method on Redox-Active Ions in Electrode Materials: Considering the Conversion-Type Reactions as Examples.

  2025cites this paper
• Li and Vacancy Co‐Enriched Halide Electrolytes via Non‐Equimolar Substitution for Stable All‐Solid‐State Lithium Batteries

  2025cites this paper
• First principles study of titanium oxychloride as an anode material in monovalent and multivalent ion batteries

  2025cites this paper
• High Ionic Conduction in Rb‐ and Cs‐Mixed Cation Amide for Energy Storage

  2025cites this paper
• Insights into the Failure Mechanisms of Leaky Lithium-Ion Batteries for Electric Vehicles by a Systematic Multiscale Analytical Framework

  2025cites this paper
• Modeling Short‐Range Order in High‐Entropy Cation‐Disordered Rocksalt‐Type Cathodes

  2025cites this paper
• Tetrahedral Lithium Stuffing in Disordered Rocksalt Cathodes for High-Power-Density and Energy-Density Batteries.

  2025cites this paper
• High‐Entropy Halides for Intercalation Battery Electrode Materials

  2025cites this paper
• Revealing atomistic mechanism of lithium diffusion in montmorillonite structure: A molecular simulation study

  2025cites this paper
• Dynamic Reconstruction of the Surface Lattice to Stabilize Lithium Nickel Oxide Cathodes via Molybdenum Modification

  2025cites this paper
• Elucidating lithium-ion diffusion kinetics in cation-disordered rocksalt cathodes

  2025cites this paper
• Well-Defined Single-Crystal Layered Oxide Cathodes for High-Performance All-Solid-State Lithium Batteries.

  2025cites this paper
• Electrospun Nanofibrous Aluminum Doped Antimony/Carbon as a Universal Anode Material for Lithium and Sodium-Ion Batteries.

  2025cites this paper
• Revisiting the Methyl Group as a Nonconventional Electron Donor in Triel, Tetrel, Pnictogen, Chalcogen, and Halogen Bonding.

  2025cites this paper
• Mechanism and cost of Zn substitution to boost the specific capacity of NaNi1/3Fe1/3Mn1/3O2 for sodium-ion batteries

  2025cites this paper
• 3D-Printed Electrode/Electrolyte Architectures for High-Performance Lithium-Ion Batteries: Mechanisms, Materials, and Challenges

  2025cites this paper
• Tailored Ordering Enables High‐Capacity Cathode Materials

  2025cites this paper
• Electrochemical lithium extraction by the faradaic materials: advances, challenges and enhancement approaches

  2025cites this paper
• Computational understanding and multiscale simulation of secondary batteries

  2025cites this paper
• Advances on Defect Engineering of Niobium Pentoxide for Electrochemical Energy Storage.

  2025cites this paper
• A Semi-Empirical Descriptor for Open Circuit Voltage

  2025cites this paper
• Understanding the Entropy Decoupling for Ion Transport in Ordered Biomimetic Materials Toward Durable Aqueous Zinc Metal Batteries.

  2025cites this paper
• Insights into chemical substitution of metal halide solid-state electrolytes for all-solid-state lithium batteries

  2025cites this paper
• Impact of the d0 transition metal on local structural transformations in disordered rock salt cathodes

  2025cites this paper
• New frontier of hybrid energy storage devices: evolution of capacitive mechanisms and escalation of nanocomposite materials

  2025cites this paper
• Polysulfide chemistry in metal-sulfur batteries.

  2025cites this paper
• Diffusion in interstitial compounds having the rocksalt crystal structure

  2025cites this paper
• Lithium Tracer Diffusion in LixCoO2 and LixNi1/3Mn1/3Co1/3O2 (x = 1, 0.9, 0.65)-Sintered Bulk Cathode Materials for Lithium-Ion Batteries

  2025cites this paper
• Flash rapid synthesis of Na3V2(PO4)3 featured with a nanocrystal/amorphous phase mingled texture for high-rate sodium storage

  2025cites this paper
• An Unexpected Low‐Temperature Battery Formation Technology Enabling Fast‐Charging Graphite Anodes

  2025cites this paper
• Mechanically Robust and Interface-Stable pSi@GO–CNTs@C Anode via Multi-Level Confinement for Long-Cycling Lithium-Ion Batteries

  2025cites this paper
• The Crucial Role of Vacancy Concentration in Enabling Superatomic Diffusion in Lithium Intermetallics

  2025cites this paper
• Kinetically Dormant Ni‐Rich Layered Cathode During High‐Voltage Operation

  2025cites this paper
• Fast Charging from Low Li-Ion Migration Barriers in Wadsley–Roth NaNb7O18 Anodes

  2025cites this paper
• Origins of lithium inventory reversibility with an alloying functional layer in anode-free lithium metal batteries

  2025cites this paper
• Higher Capacity and Voltage Enabled by Stable Ions Dispersedly Occupied Co-Intercalation Phase in Rechargeable Magnesium Batteries.

  2025cites this paper
• Electrochemically Active Area Quantification in All-Solid-State Batteries through an Integrated Galvanostatic–Impedance Framework

  2025cites this paper
• Mechanistic Analysis on Electrochemo-mechanics Behaviors of Lithium Iron Phosphate Cathodes

  2025cites this paper
• A short insight into the Li-ion diffusion mechanism in graphite protective layers for Li metal batteries

  2025cites this paper
• Understanding Degradation in Single-Crystalline Ni-Rich Li-Ion Battery Cathodes

  2025cites this paper
• Ion transport mechanism in sodium-ion batteries: Fundamentals, applications, and future trends

  2025cites this paper
• Toward High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules

  2025cites this paper
• The meaning of Li diffusion in cathode materials for the cycling of Li-ion batteries: A case study on LiNi0.33Mn0.33Co0.33O2 thin films.

  2025cites this paper
• Tuning lithium diffusion by anionic substitution in a trigonal halide superionic conductor

  2025cites this paper
• Regium Bonds to Activated Methyl Groups: Transition to Covalent Bond and a Pentacoordinate Carbon Center.

  2025cites this paper
• First-Principles study on the physical properties of double perovskites LiX3H8 (X = Ni and Mn) for hydrogen storage

  2025cites this paper
• Study of Lithium Transport in NMC Layered Oxide Cathode Material Using Multiscale Computational Approach

  2024cites this paper
• Defect Engineering: Can it Mitigate Strong Coulomb Effect of Mg2+ in Cathode Materials for Rechargeable Magnesium Batteries?

  2024cites this paper
• Lithium tracer diffusion in ion-beam sputtered nano-crystalline and amorphous LiNi0.33Mn0.33Co0.33O2 films

  2024cites this paper
• Thermodynamic and Kinetic Properties of the Lithium–Silver System

  2024cites this paper
• The Role of Carrier Ion‐Ligand Interaction on Intercalation Potentials and Phase Evolution of Berlin Green Cathodes in Rechargeable Batteries

  2024cites this paper
• Influence of different precipitants on the properties of CuMn2O4 anode materials for Lithium-ion batteries

  2024cites this paper
• Stabilizing porous micro-sized silicon anodes via construction of tough composite interface networks for high-energy-density lithium-ion batteries

  2024cites this paper
• The Effect of a Dual-Layer Coating for High-Capacity Silicon/Graphite Negative Electrodes on the Electrochemical Performance of Lithium-Ion Batteries

  2024influential citation
• Visualization of Tetrahedral Li in the Alkali Layers of Li-Rich Layered Metal Oxides

  2024cites this paper
• Origins of Severe Structural Changes during Alloying-Dealloying Reactions in Black Phosphorus.

  2024cites this paper
• Revealing the Thermodynamic Mechanism of Phase Transition Induced by Activation Polarization in Lithium-Ion Batteries.

  2024cites this paper
• The effects of vacancy ordering on diffusion: a statistical study

  2024cites this paper
• Lithium Phosphorous Oxynitride as an Advanced Solid‐State Electrolyte to Boost High‐Energy Lithium Metal Battery

  2024cites this paper
• Modulating the cross-plane thermal conductivity of graphite by MnCl2 and FeCl3 co-intercalation

  2024cites this paper
• Designing membranes with specific binding sites for selective ion separations

  2024cites this paper
• Atomistic simulation study of Li5GaO4 for lithium-ion batteries

  2024cites this paper
• Challenges and opportunities using Ni-rich layered oxide cathodes in Li-ion rechargeable batteries: the case of nickel cobalt manganese oxides

  2024cites this paper
• Operando real-space imaging of a structural phase transformation in the high-voltage electrode LixNi0.5Mn1.5O4

  2024cites this paper
• Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode Materials

  2024cites this paper
• Single–crystalline LiNi0.8Co0.1Mn0.1O2 stabilized by F–doping–induced superlattice for 4.8 V lithium–ion batteries

  2024cites this paper
• Battery Cells and Materials Performance Evaluation

  2024cites this paper
• Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life

  2024cites this paper
• Surface-like diffusion of fast ions in framework energy materials for Li- and Na-ion batteries.

  2024cites this paper
• Vanadium‐Based Cathodes Modification via Defect Engineering: Strategies to Support the Leap from Lab to Commercialization of Aqueous Zinc‐Ion Batteries

  2024cites this paper
• Manipulating disorder within cathodes of alkali-ion batteries

  2024cites this paper
• Anisotropic Strain Evolution of Layered LiNi0.5Co0.2Mn0.3O2 Cathode in Formation Cycle.

  2024cites this paper
• Multiscale characterizations of structural evolution in mesoporous CeO2.

  2024cites this paper
• A Flexible Na‐Ion Supercapacitor/Battery Hybrid Device

  2024cites this paper
• High‐Voltage Spinel Cathode Materials: Navigating the Structural Evolution for Lithium‐Ion Batteries

  2024cites this paper
• Multiscale modeling for enhanced battery health analysis: Pathways to longevity

  2024cites this paper
• Modulating the D-band center of mn and mitigating O vacancies with amino groups for enhanced long-cycle alkaline-manganese batteries.

  2024cites this paper
• Diffusion-induced stress amplification in phase-transition materials for electrodes of lithium-ion batteries

  2024cites this paper
• Redox Mechanisms upon the Lithiation of Wadsley–Roth Phases

  2024cites this paper
• Cation Vacancies Enable Anion Redox in Li Cathodes

  2024cites this paper
• Understanding Mobile Particles in Solid-State Materials: From the Perspective of Potential Energy Surfaces

  2024cites this paper
• Design Principles for High‐Capacity, Long‐Life Cation‐Disordered Rocksalt Cathodes

  2024cites this paper
• Engineering Triple‐Phase Interfaces around the Anode toward Practical Alkali Metal–Air Batteries

  2024cites this paper
• Combined study of phase transitions in the P2-type Na_XNi_1/3Mn_2/3O_2 cathode material: experimental, ab-initio and multiphase-field results

  2024cites this paper
• On the Origin of Capacity Increase in Rechargeable Magnesium Batteries with Manganese Oxide Cathodes and Copper Metal Current Collectors.

  2024cites this paper
• Directional Polarization of a Ferroelectric Intermediate Layer Inspires a Built‐In Field in Si Anodes to Regulate Li+ Transport Behaviors in Particles and Electrolyte

  2024cites this paper
• Unveil the origin of voltage oscillation for sodium-ion batteries operating at −40 °C

  2024cites this paper
• Rechargeable Hydrogen Gas Batteries: Fundamentals, Principles, Materials, and Applications

  2024cites this paper