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RESEARCH PAPER · Journal of the American Chemical Society · 2019

Stabilization of O–O Bonds by d0 Cations in Li4+ x Ni1– x WO6 (0 ≤ x ≤ 0.25) Rock Salt Oxides as the Origin of Large Voltage Hysteresis

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Stabilization of O–O Bonds by d0 Cations in Li4+ x Ni1– x WO6 (0 ≤ x ≤ 0.25) Rock Salt Oxides as the Origin of Large Voltage HysteresisOriginalCharge Transfer Band Gap as an Indicator of Hysteresis in Li-Disordered Rock Salt Cathodes for Li-Ion Batteries137Restraining Oxygen Loss and Suppressing Structural Distortion in a Newly Ti-Substituted Layered Oxide P2-Na 0.66 Li 0.22 Ti 0.15 Mn 0.63 O 2190Anionic redox reactions and structural degradation in a cation-disordered rock-salt Li 1.2 Ti 0.4 Mn 0.4 O 2 cathode material revealed by solid-state NMR and EPR75Li-rich cathodes for rechargeable Li-based batteries: reaction mechanisms and advanced characterization techniques429Stable surface construction of the Ni-rich LiNi 0.8 Mn 0.1 Co 0.1 O 2 cathode material for high performance lithium-ion batteries68Exploring the Kinetic Limitations Causing Unusual Low-Voltage Li Reinsertion in Either Layered or Tridimensional Li2IrO3 Cathode Materials13Surface homogenizing heterostructure coatings induced by Ti 3 C 2 T x MXene for enhanced cycle performance of lithium‐rich cathode materials4How Bulk Sensitive is Hard X-ray Photoelectron Spectroscopy: Accounting for the Cathode–Electrolyte Interface when Addressing Oxygen Redox56A Heuristic Model for 3D Layered Materials with 2D Cationic Diffusion Currents from Their Honeycomb Lattice0Understanding the Origin of Higher Capacity for Ni-Based Disordered Rock-Salt Cathodes29Dielectric Polarization in Inverse Spinel‐Structured Mg2TiO4 Coating to Suppress Oxygen Evolution of Li‐Rich Cathode Materials226High‐Voltage Oxygen‐Redox‐Based Cathode for Rechargeable Sodium‐Ion Batteries118Design Rules for High-Valent Redox in Intercalation Electrodes148Surface regulation enables high stability of single-crystal lithium-ion cathodes at high voltage431An idealised approach of geometry and topology to the diffusion of cations in honeycomb layered oxide frameworks22Controlling Covalency and Anion Redox Potentials through Anion Substitution in Li-Rich Chalcogenides44Deciphering the effects of hexagonal and monoclinic structure distribution on the properties of Li-rich layered oxides17Honeycomb layered oxides: structure, energy storage, transport, topology and relevant insights94Intelligent phase-transition MnO 2 single-crystal shell enabling a high-capacity Li-rich layered cathode in Li-ion batteries8Improved electrochemical activity of the Li2MnO3-like superstructure in high-nickel Li-rich layered oxide Li1.2Ni0.4Mn0.4O2 and its enhanced performances via tungsten doping24Delocalized Metal–Oxygen π-Redox Is the Origin of Anomalous Nonhysteretic Capacity in Li-Ion and Na-Ion Cathode Materials127The role of covalent bonding and anionic redox for the performance of sodium cobaltate electrode materials9Peroxo Species Formed in the Bulk of Silicate Cathodes10Peroxo Species Formed in the Bulk of Silicate Cathodes3The role of O2 in O-redox cathodes for Li-ion batteries401Achieving stable anionic redox chemistry in Li-excess O2-type layered oxide cathode via chemical ion-exchange strategy94Disordered Li-rich, Ti-based oxyfluoride cathode with multiple cation and anion redox chemistry19Utilizing Oxygen Redox in Layered Cathode Materials from Multiscale Perspective75Demystifying the Lattice Oxygen Redox in Layered Oxide Cathode Materials of Lithium-Ion Batteries144Structural Origins of Voltage Hysteresis in the Na-Ion Cathode P2–Na 0.67 [Mg 0.28 Mn 0.72 ]O 2 : A Combined Spectroscopic and Density Functional Theory Study53Correlating ligand-to-metal charge transfer with voltage hysteresis in a Li-rich rock-salt compound exhibiting anionic redox176Identifying the effect of fluorination on cation and anion redox activity in Mn based cation-disordered cathode14Perspectives for next generation lithium-ion battery cathode materials102Systematic density functional theory investigations on cubic lithium-rich iron-based Li2FeO3: A multiple electrons cationic and anionic redox cathode material11Synthesis, characterization and study of the properties of new exotic lithium ion intercalation compounds0Chemical Design of IrS2 Polymorphs to Understand the Charge/Discharge Asymmetry in Anionic Redox Systems2Constructing a surface spinel layer to stabilize the oxygen frame of Li-rich layered oxides23Kinetic square scheme in oxygen-redox battery electrodes88Stable electronic structure related with Mn4+O−• coupling determines the anomalous nonhysteretic behavior in Na2Mn3O739Status of Li(Na)-based anionic redox materials for better batteries13Oxygen Redox Intercalation Cathodes: The Fundamentals and Strategies to Resolve the Challenges6Hysteresis in electrochemical systems94Configuration‐dependent anionic redox in cathode materials47Coincident formation of trapped molecular O2 in oxygen-redox-active archetypical Li 3d oxide cathodes unveiled by EPR spectroscopy30Capturing dynamic ligand-to-metal charge transfer with a long-lived cationic intermediate for anionic redox162Transition metal migration and O2 formation underpin voltage hysteresis in oxygen-redox disordered rocksalt cathodes114Influence of Tin and Titanium on the Electrochemical Performance of Lithium-Rich Cathode Materials3Understanding and Control of Activation Process of Lithium-Rich Cathode Materials59Origin and characterization of the oxygen loss phenomenon in the layered oxide cathodes of Li-ion batteries15Synthesis, structure and electrochemical properties of a new cation ordered layered Li–Ni–Mg–Mo oxide2Probing the Mysterious Behavior of Tungsten as a Dopant Inside Pristine Cobalt‐Free Nickel‐Rich Cathode Materials56Voltage Hysteresis in Transition Metal Oxide Cathodes for Li/Na‐Ion Batteries65Constructing uniform oxygen defect engineering on primary particle level for high-stability lithium-rich cathode materials39Ruthenium Engineered A2B2O6‐Hybrid Columbite Ferrite for Bifunctional pH‐Universal Water Splitting28Electrochromic Corundum-like Compound Based on the Reversible (De)insertion of Lithium: Li2Ni2W2O914Anionic Redox in Rechargeable Batteries: Mechanism, Materials, and Characterization39Integrated Photochromic‐Photothermal Processes for Catalytic Plastic Upcycling17Integrated Photochromic‐Photothermal Processes for Catalytic Plastic Upcycling85Advances in honeycomb layered oxides: Syntheses, layer stackings and material characterisation techniques of pnictogen- and chalcogen-based honeycomb layered oxides11Powerful combination of FeWO4/g-C3N4 heterostructures for solar light driven photocatalytic degradation of tetracycline and its antibacterial activity53Calcination Heterogeneity in Li-Rich Layered Oxides: A Systematic Study of Li 2 CO 3 Particle Size10Sequential structural evolution triggered by O-O dimerization in oxygen-redox reactions1Correlating concerted cations with oxygen redox in rechargeable batteries41Recent advances in high-performance lithium-rich manganese-based materials for solid-state lithium batteries19Destabilization of Oxidized Lattice Oxygen in Layered Oxide Cathode33Pre-introducing Li4NiWO6 defect phase by tungsten modification enables highly stabilized Ni-rich cathode13Surface-to-bulk engineering with high-valence W6+ enabling stabilized single-crystal LiNi0.9Co0.05Mn0.05O2 cathode56Interplay between Intermediate Anionic and Cationic Species and the Reflection to Voltage Hysteresis of Oxygen-Redox Battery Electrodes: A Holistic Picture17Cation-disordered Li2FeTiO4 nanoparticles with multiple cation and anion redox for symmetric lithium-ion batteries5Tungsten‐based Li‐rich rock salt stabilized Co‐free Ni‐rich layered oxide cathodes17Achieving High‐Voltage Stability in Li‐Rich Ni‐Rich Oxides with Local W/Ni(Li) Superstructure45Cation Migration‐Induced Lattice Oxygen Oxidation in Spinel Oxide for Superior Oxygen Evolution Reaction37Cation Migration‐Induced Lattice Oxygen Oxidation in Spinel Oxide for Superior Oxygen Evolution Reaction2Cation order and disorder in cathode materials for Li-ion batteries7A comprehensive understanding on the anionic redox chemistry of high-voltage cathode materials for high-energy-density lithium-ion batteries115Rational design of hierarchical hollow spherical W 18 O 49 with abundant oxygen vacancies through Mo doping for efficient TEA gas sensing0Multiple Electron Transfers Enable High‐Capacity Cathode Through Stable Anionic Redox24Sequential Structural Evolution Triggered by O─O Dimerization in Oxygen‐Redox Reactions13Tuning Li occupancy and local structures for advanced Co-free Ni-rich positive electrodes41The Role of Fe(IV)-O Anion Redox Centers in the Electrochemical Behavior of Al- and Ga-Doped T-LiFeO23Understanding Voltage Decay and Hysteresis in Li‐Rich Layered Oxide Cathodes13High Rate Capability and Cycling Stability in Multi‐Domain Nanocomposite LiNi 1– x Ti 3 x /4 O 2 Positive Electrodes5Kinetic Regulation of Anionic Redox Reaction Voltage by Metastable Over‐Lithiated Surface Shells Formation for High‐Energy‐Density Batteries0Kinetic Regulation of Anionic Redox Reaction Voltage by Metastable Over‐Lithiated Surface Shells Formation for High‐Energy‐Density Batteries0Stereochemical origin of potential hysteresis in lithium metal batteries with lithium-rich cation-disordered rocksalt positive electrodes0

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