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Unlocking the mechanism of anharmonic lattice dynamics in ionic conductor β-Li3VO4

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Understanding the structure and mechanism of Na+ diffusion in NASICON solid-state electrolytes and the effect of Sc- and Al/Y-substitution

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Tailoring defects and interfaces in sulfide solid electrolytes for high-performance solid-state sodium batteries

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A hierarchical approach to designing a Na-rich phosphide solid-state electrolyte for Na-ion batteries

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Exploring the effects of defect concentrations and distribution on Li diffusion in Li3OBr solid-state electrolyte using a deep potential model

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Exploring lithium ion interactions in graphite electrodes through non-equilibrium molecular dynamics and density functional theory

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Two-dimensional azulenoid kekulene-based metallic allotropes for energy storage applications

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A compactable Na2.5PS3.5F0.5 electrolyte for solid-state sodium batteries

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Theoretical calculations and simulations power the design of inorganic solid-state electrolytes

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Design of sodium superionic conductors based on multiple crystal structure prediction methods

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Machine-learning-assisted discovery of lattice dynamics signatures of sodium superionic conductors

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Examining proton conductivity of metal–organic frameworks by means of machine learning

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Anharmonic atomic dynamics and thermal transport in SnTe with stoichiometric defects

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Backscattering silicon spectrometer (BASIS): sixteen years in advanced materials characterization

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A novel phase of superionic conductor β′-Na3PS4 with a large band gap and a low migration barrier

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Tuning collective anion motion enables superionic conductivity in solid-state halide electrolytes

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Ionic Mobility in Energy Materials: Through the Lens of Quasielastic Neutron Scattering

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Bottleneck Size Manipulation through the Introduction of Large-Radius Alkali Ions in Na Sites of a NaSICON Solid Electrolyte: A Computational Proof of Concept

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Phonon–Lithium Ion Interactions: A Case Study of LiM(SeO3)2 (M = Al, Ga, In, Sc, Y, and La)

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Scaling Relations for Ionic and Thermal Transport in the Na+ Ionic Conductor Na3PS4

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On the Discrepancy between Local and Average Structure in the Fast Na+ Ionic Conductor Na2.9Sb0.9W0.1S4

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Grain Boundary Effects and Stress–Diffusion Coupling in Na3OCl Antiperovskite for Sodium-Ion Batteries: A Molecular Dynamics Study

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High Ionic Conduction in Rb‐ and Cs‐Mixed Cation Amide for Energy Storage

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Importance of Thermal Transport for the Design of Solid-State Battery Materials

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Revealing the phonon properties for thermoelectric materials by neutron scattering

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The nonexistence of a paddlewheel effect in superionic conductors

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Investigation of Low-Energy Lattice Dynamics and Their Role in Superionic Na Diffusion and Ultralow Thermal Conductivity of Na3PSe4 as a Solid-State Electrolyte

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Assessing Correlations between Phonon Features and Cation Migration Barriers in Multivalent Solid Electrolytes

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Dynamic Monkey Bar Mechanism of Superionic Li‐ion Transport in LiTaCl6

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Unraveling the interplay of spins, lattice, and pressure in LuFeO3 : Inelastic neutron scattering and ab initio simulations

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Unlocking Lithium Superionic Conduction via Phonon Softness Descriptors: A High-Throughput Machine Learning Paradigm

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High‐Throughput Data‐Driven Prediction of Stable High‐Performance Na‐Ion Sulfide Solid Electrolytes

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Tuning of structure and host dynamics via yttrium doping in Bi2O3 to enhance oxygen ion diffusion

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Optimizing Ionic Conductivity of Lithium in Li7PS6 Argyrodite via Dopant Engineering

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Investigation of LiCoO2 thin films grown under relatively low substrate temperature for all solid state lithium ion battery applications

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Advancing Accurate and Efficient Surface Behavior Modeling of Al Clusters with Machine Learning Potential

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Anharmonic lattice dynamics and structural phase transition of α-AlF3

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The Dynamical Role of Optical Phonons and Sublattice Screening in a Solid-State Ion Conductor

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Deep potentials for materials science

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Anharmonic Lattice Dynamics in Sodium Ion Conductors

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Broadband Wide-Angle VElocity Selector (BWAVES) neutron spectrometer designed for the SNS Second Target Station

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Lithium-ion diffusion and anharmonic phonons in α- Li3N

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Bulk-to-interface engineering of solid-state electrolytes toward fast-charging Li/Na-ion batteries

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Anharmonic lattice dynamics dominated ion diffusion in γ-Li3PO4

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Anharmonic Cation–Anion Coupling Dynamics Assisted Lithium‐Ion Diffusion in Sulfide Solid Electrolytes

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Dynamic Monkey Bar Mechanism of Superionic Li‐ion Transport in LiTaCl6

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Critical Role of Framework Flexibility and Disorder in Driving High Ionic Conductivity in LiNbOCl4

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Exploring the Thermal and Ionic Transport of Cu+ Conducting Argyrodite Cu7PSe6

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Renewing Fundamental Understanding of Ionic Transport in Inorganic Crystalline Solid‐State Electrolytes from the Perspective of Lattice Dynamics

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Advanced Energy Materials, 2024, 14
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Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites

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Evidence of tuned anharmonicity in the thermoelectric material Cu2-xS

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Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag8SnSe6

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Machine learning drives a new paradigm in inorganic solid-state electrolytes research

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A molecular dynamics postprocessing tool for analyzing the structure and dynamics of materials

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Ab initio molecular dynamics investigation on hydrogen diffusion behavior in liquid aluminum alloy melts

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Connecting Local Structure, Strain and Ionic Transport in the Fast Sodium Ion Conductor Na11+xSn2+xP1−xS12

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Can large lattice volume always facilitate ion diffusion in solids?

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Lattice dynamics in inorganic solid state electrolytes

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A Sulfide‐Based Solid Electrolyte With High Humid Air Tolerance for Long Lifespan All‐Solid‐State Sodium Batteries

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Advanced Energy Materials, 2024, 14
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Revealing fast ionic conduction in solid electrolytes through machine learning accelerated Raman calculations

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Recent Progress on Dominant Sulfide‐Type Solid‐State Na Superionic Conductors for Solid‐State Sodium Batteries

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Superior Li‐Ion Transport in LiNb0.5Ta0.5Cl6

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Anomalous thermal conductivity enhancement in twisted graphene/ h -BN bilayers revealed by neuroevolution potential driven atomistic simulations

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Li-Ion Diffusion Correlations in LiAlGeO4: Quasielastic Neutron Scattering and Ab Initio Simulation

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Metallic Bond Induces Soft Phonon Mode and Anharmonicity in Heusler Alloy

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Neutron Scattering in Sodium‐Ion Battery Research: Progress and Prospects

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Diffusion mechanisms of fast lithium-ion conductors

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Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4

Briséïs Mercadier, Samuel W. Coles, Mathieu Duttine, Christophe Legein, Monique Body, Olaf J. Borkiewicz, Oleg Lebedev, Benjamin J. Morgan, Christian Masquelier and Damien Dambournet

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Crystal Structures and Phase Stability of the Li2S–P2S5System from First Principles

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How Concerted Are Ionic Hops in Inorganic Solid-State Electrolytes?

Cibrán López, Riccardo Rurali and Claudio Cazorla

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Lattice Dynamics and Ionic Transport in Antiperovskites M3XCh (M = Li, Na; X = H, F; Ch = S, Se, Te): A First-Principles Study Incorporating Anharmonicity and Vacancy Effects

Youngkyu Kim, Susumu Fujii, Wataru Sekimoto, Chanhyeok Kim, Thang Tran, Masato Yoshiya and Hiroshi Kageyama

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Comparative study of nudged elastic band and molecular dynamics methods for diffusion kinetics in solid-state electrolytes

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Advanced Characterization of Solid-State Battery Materials Using Neutron Scattering Techniques

Eric Novak, Luke Daemen and Niina Jalarvo

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Strongly coupled C@MoSe2@OMWCNT heterostructure as an anode for sodium-ion batteries

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Orientational Disorder and Molecular Correlations in Hybrid Organic–Inorganic Perovskites: From Fundamental Insights to Technological Applications

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Phonon-promoted superionic conduction in fluorite-structured compounds

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Soft-phonon anharmonicity, floppy modes, and Na diffusion in Na3FY (Y=S,Se,Te) : Ab initio and machine-learned molecular dynamics simulations

Mayanak Kumar Gupta, Sajan Kumar, Ranjan Mittal and Samrath L. Chaplot

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