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RESEARCH PAPER · Materials Today · 2018

Combining theory and experiment in lithium–sulfur batteries: Current progress and future perspectives

Xiang Chen, Tingzheng Hou, Kristin Aslaug Persson, Qiang Zhang

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Combining theory and experiment in lithium–sulfur batteries: Current progress and future perspectivesOriginalGeometric nonlinear thermoelasticity and the time evolution of thermal stresses391.4 Review of Gear Finishing Processes17Dual-Support Smoothed Particle Hydrodynamics for Elastic Mechanics19Modeling Deformable Bodies Using Discrete Systems with Centroid-Based Propagating Interaction: Fracture and Crack Evolution16Peridynamics simulation of the comminution of particles containing microcraks3Turbulent contribution to heat loss in cavity receivers3Realization of compact tractor beams using acoustic delay-lines109A resilient domain decomposition polynomial chaos solver for uncertain elliptic PDEs7Effect of compressibility and aspect ratio on performance of long elastic seals0Topology optimized and 3D printed polymer-bonded permanent magnets for a predefined external field64Subspace dynamic mode decomposition for stochastic Koopman analysis99Computational modeling of magnetic particle margination within blood flow through LAMMPS43A. Vectors and tensors0Inverse designed photonic fibers and metasurfaces for nonlinear frequency conversion4Rafiki44Metal-based nanostructured materials for advanced lithium–sulfur batteries243Through-process modelling of welding and service of 9Cr steel power plant components under load-following conditions0Drop dynamics on Liquid Infused Surfaces: The Role of the Wetting Ridge0Benchmark Experimental Database for Multiphase Combustion Model Input and Validation: Characterization of the Inlet Combustion Air12Additive Manufactured and Topology Optimized Passive Shimming Elements for Permanent Magnetic Systems1Investigating the influence of external restraint on welding distortion in thin-plate welded structures by means of numerical simulation technology10Dispersion-minimized mass for isogeometric analysis19Advances in Cathode Materials for High-Performance Lithium-Sulfur Batteries114A Reliable Algorithm for Multi-Dimensional Mobile/Immobile Advection-Dispersion Equation with Variable Order Fractional3Snapping of bistable, prestressed cylindrical shells20Enhanced Electrochemical Kinetics and Polysulfide Traps of Indium Nitride for Highly Stable Lithium–Sulfur Batteries259Simulation of shell buckling by implicit dynamics and numerically dissipative schemes21Challenges in Two-fluid Modeling Applied to Large-scale Bubble Plumes1Metal-N4/graphene as an efficient anchoring material for lithium-sulfur batteries: A computational study46Recent Advances in Energy Chemical Engineering of Next-Generation Lithium Batteries259Unusual Enhancement of the Adsorption Energies of Sodium and Potassium in Sulfur−Nitrogen and Silicon−Boron Codoped Graphene24Designing Lithium–Sulfur Batteries with High-Loading Cathodes at a Lean Electrolyte Condition43The role of porosity and solid matrix compressibility on the mechanical behavior of poroelastic tissues41A new high-capacity and safe energy storage system: lithium-ion sulfur batteries49Catenated and spirocyclic polychalcogenides from potassium carbonate and elemental chalcogens17Heterostructures of doped graphene and MoX 2 (X = S and Se) as promising anchoring materials for lithium–sulfur batteries: a first-principles study24Influence of morphology of monolithic sulfur–poly(acrylonitrile) composites used as cathode materials in lithium–sulfur batteries on electrochemical performance33Sulfur encapsulated in a wafer-like carbon substrate with interconnected meso/micropores for high-performance lithium–sulfur batteries6The role of polysulfide dianions and radical anions in the chemical, physical and biological sciences, including sulfur-based batteries304Vibration Properties of TPMS Based Structures9Magnesium-Ion Storage Capability of MXenes127Heat transfer of magnetic nanoparticles through porous media including exergy analysis88Density functional theory calculations for interactions between metal-free phthalocyanine and lithium polysulfides6Conformation of a semiflexible filament in a quenched random potential5MoS2 coated separator as an efficient barrier for inhibiting shuttle effect of polysulfide16Sulfur‐ and Selenium‐Containing Compounds Potentially Exhibiting Al Ion Conductivity5BC2N monolayers as promising anchoring materials for lithium-sulfur batteries: First-principles insights66An optimised family of anisotropic microstructures with application to functionally graded materials14Current Status and Future Prospects of Metal–Sulfur Batteries622Mesoporous TiO2 Nanofibers as Advanced Sulphur Host Materials for Lithium Storage0Understanding the surface decoration on primary particles of nickel-rich layered LiNi0.6Co0.2Mn0.2O2 cathode material with lithium phosphate38Nitrogen and oxygen co-doped porous carbon nanosheets as high-rate and long-lifetime anode materials for high-performance Li-ion capacitors83Recent progress in fluorinated electrolytes for improving the performance of Li–S batteries95Phonon Lifetimes and Thermal Conductivity of the Molecular Crystal α-RDX24Self‐Supported and Flexible Sulfur Cathode Enabled via Synergistic Confinement for High‐Energy‐Density Lithium–Sulfur Batteries309Analytical approach for solving population balances: a homotopy perturbation method60The influence of FEC on the solvation structure and reduction reaction of LiPF6/EC electrolytes and its implication for solid electrolyte interphase formation470Geometry-controlled Failure Mechanisms of Amorphous Solids on the Nanoscale0A three dimensional kinetic Monte Carlo model for simulating the carbon/sulfur mesostructural evolutions of discharging lithium sulfur batteries49Rationalizing Electrocatalysis of Li–S Chemistry by Mediator Design: Progress and Prospects412Concrete-like high sulfur content cathodes with enhanced electrochemical performance for lithium-sulfur batteries17Liquid phase therapy to solid electrolyte–electrode interface in solid-state Li metal batteries: A review276Accurate Binding Energies for Lithium Polysulfides and Assessment of Density Functionals for Lithium–Sulfur Battery Research44Rational Design of Highly Packed, Crack-Free Sulfur Electrodes by Scaffold-Supported Drying for Ultrahigh-Sulfur-Loaded Lithium–Sulfur Batteries10On the derivatives of curvature of framed space curve and their time-updating scheme: Extended version with MATLAB code0Controllable growth of LiMn2O4 by carbohydrate-assisted combustion synthesis for high performance Li-ion batteries61MODELING AND SIMULATION OF CONTACT AND IMPACT DYNAMICS IN MULTIBODY SYSTEMS0Insight into the Anchoring and Catalytic Effects of VO2 and VS2 Nanosheets as Sulfur Cathode Hosts for Li–S Batteries61On the influence of nucleation and growth of S8 and Li2S in lithium-sulfur batteries62A General Atomic Surface Modification Strategy for Improving Anchoring and Electrocatalysis Behavior of Ti 3 C 2 T 2 MXene in Lithium–Sulfur Batteries385Two-dimensional π-conjugated metal bis(dithiolene) nanosheet: A promising anchoring material for lithium-sulfur batteries22Coupling finite element method with large scale atomic/molecular massively parallel simulator (LAMMPS) for hierarchical multiscale simulations35Inside or Outside: Origin of Lithium Dendrite Formation of All Solid‐State Electrolytes139A conservative and non-dissipative Eulerian formulation for the simulation of soft solids in fluids23Designing solid-state interfaces on lithium-metal anodes: a review114Micro-Macroscopic Coupled Electrode Architecture for High-Energy-Density Lithium–Sulfur Batteries7Redox Mediator: A New Strategy in Designing Cathode for Prompting Redox Process of Li–S Batteries58One-pot sulfur-containing ion assisted microwave synthesis of reduced graphene oxide@nano-sulfur fibrous hybrids for high-performance lithium-sulfur batteries33Numerical Analysis of Transient Compressible Flow over Backward-facing Step0A new causal general relativistic formulation for dissipative continuum fluid and solid mechanics and its solution with high-order ADER schemes1Anisotropically Electrochemical–Mechanical Evolution in Solid‐State Batteries and Interfacial Tailored Strategy63Anisotropically Electrochemical–Mechanical Evolution in Solid‐State Batteries and Interfacial Tailored Strategy17hp-adaptive discontinuous Galerkin solver for elliptic equations in numerical relativity11A Class of Catalysts of BiOX (X = Cl, Br, I) for Anchoring Polysulfides and Accelerating Redox Reaction in Lithium Sulfur Batteries129Asymmetric cathode membrane with tunable positive charge networks for highly stable Li–S batteries20Cobalt phthalocyanine is a suitable scaffold for lithium polysulfide (Li2Sn n = 2–8)22Mathematical models for understanding lithium sulfur batteries phenomena0Continuum theory of bending-to-stretching transition7Molybdenum carbide nanostructures for electrocatalytic polysulfide conversion in lithium–polysulfide batteries22Solving PDEs in space-time15ZnS spheres wrapped by an ultrathin wrinkled carbon film as a multifunctional interlayer for long-life Li–S batteries107Expediting redox kinetics of sulfur species by atomic‐scale electrocatalysts in lithium–sulfur batteries307Emerging Functional Porous Polymeric and Carbonaceous Materials for Environmental Treatment and Energy Storage291Graphdiyne nanostructure for high-performance lithium-sulfur batteries78A new approach in computational contact mechanics: The contact domain method2Construction of discrete analogs of differential equations for bending of plates and shells with discontinuous parameters based on spline approximation method0Density Functional Theory for Battery Materials463Stepwise Electrocatalysis as a Strategy against Polysulfide Shuttling in Li–S Batteries215Recent progress of flexible sulfur cathode based on carbon host for lithium-sulfur batteries66Controllable Synthesis of Two‐Dimensional Molybdenum Disulfide (MoS2) for Energy‐Storage Applications111Dendrite-free lithium metal and sodium metal batteries249Hollow spheres of Mo2C@C as synergistically confining sulfur host for superior Li–S battery cathode41Atomically dispersed metal active centers as a chemically tunable platform for energy storage devices25Binary graphene-based cathode structure for high-performance lithium-sulfur batteries17Computational refinement of the puzzling red tetrasulfur chromophore in ultramarine pigments24Electrocatalysis of sulfur and polysulfides in Li–S batteries120Insights into lithium ion deposition on lithium metal surfaces31Interlayer design based on carbon materials for lithium–sulfur batteries: a review199Layered double hydroxides and their derivatives for lithium–sulfur batteries78Multifunctional NiCo 2 O 4 nanosheet-assembled hollow nanoflowers as a highly efficient sulfur host for lithium–sulfur batteries18Theoretical anchoring effect of new phosphorus allotropes for lithium–sulfur batteries13Altering the reaction mechanism to eliminate the shuttle effect in lithium-sulfur batteries125Lithium metal anodes: Present and future544The Failure of Solid Electrolyte Interphase on Li Metal Anode: Structural Uniformity or Mechanical Strength?354Unveiling the Advances of 2D Materials for Li/Na-S Batteries Experimentally and Theoretically148Decontamination of methylene Blue from simulated wastewater by the mesoporous rGO/Fe/Co nanohybrids: Artificial intelligence modeling and optimization47Deep Representation Learning for Dynamical Systems Modeling3Dynamism of Supramolecular DNA/RNA Nanoarchitectonics: From Interlocked Structures to Molecular Machines79Recent progress in developing Li2S cathodes for Li–S batteries177Solid Additives for Improving the Performance of Sulfur Cathodes in Lithium–Sulfur Batteries—Adsorbents, Mediators, and Catalysts71Controlling the minimal feature sizes in adjoint optimization of nanophotonic devices using b-spline surfaces38Electron‐State Confinement of Polysulfides for Highly Stable Sodium–Sulfur Batteries212A sandwich-structured TiN/BN-C composite interlayer with enhanced performance for Li S batteries11Aminomethyl‐Functionalized Carbon Nanotubes as a Host of Small Sulfur Clusters for High‐Performance Lithium–Sulfur Batteries12Effective response of heterogeneous materials using the recursive projection method5Constructing multi-functional Janus separator toward highly stable lithium batteries101Reducing wind-induced vibrations of road sign structures through aerodynamic modifications: A computational pilot study for a practical example6Li/S2Non-equilibrium dynamics of initially spherical vesicles in general flow0Nanoarchitectonics of Nanoporous Carbon Materials in Supercapacitors Applications86A Hierarchical Three-Dimensional Porous Laser-Scribed Graphene Film for Suppressing Polysulfide Shuttling in Lithium–Sulfur Batteries55Lithium Bonds in Lithium Batteries191Lithium Bonds in Lithium Batteries37Flame-retardant concentrated electrolyte enabling a LiF-rich solid electrolyte interface to improve cycle performance of wide-temperature lithium–sulfur batteries85Flower-like ZnO modified with BiOI nanoparticles as adsorption/catalytic bifunctional hosts for lithium–sulfur batteries45Microstructural inelastic fingerprints and data-rich predictions of plasticity and damage in solids14Approaching energy-dense and cost-effective lithium–sulfur batteries: From materials chemistry and price considerations88Boosting Polysulfide Conversion in Lithium–Sulfur Batteries by Cobalt-Doped Vanadium Nitride Microflowers57Functionalization of Nitrogen-Doped Carbon Nanofibers with Polyamidoamine Dendrimer as a Freestanding Electrode with High Sulfur Loading for Lithium–Polysulfides Batteries83Reaction Mechanism Optimization of Solid‐State Li–S Batteries with a PEO‐Based Electrolyte24012 years roadmap of the sulfur cathode for lithium sulfur batteries (2009–2020)278Introduce Tortuosity to Retain Polysulfides and Suppress Li Dendrites5Oxygen defects boost polysulfides immobilization and catalytic conversion: First-principles computational characterization and experimental design63A unification of finite deformation J2 Von-Mises plasticity and quantitative dislocation mechanics38Crepe Cake Structured Layered Double Hydroxide/Sulfur/Graphene as a Positive Electrode Material for Li–S Batteries115Hydrodynamics of Quartz-Crystal-Microbalance DNA Sensors Based on Liposome Amplifiers29A High-Performance Aqueous Zinc-Bromine Static Battery171Regulation Polysulfide Conversion by Flexible Carbon Cloth/Molybdenum Selenide to Improve Sulfur Redox Kinetics in Lithium-Sulfur Battery7Structure preserving model order reduction of shallow water equations0Exploring and Understanding the Roles of Li2Sn and the Strategies to beyond Present Li-S Batteries268

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