Buchumschlag

Disentangling Cation-Polyanion Coupling in Solid Electrolytes: Which Anion Motion Dominates Cation Transport?

Fuente: arXiv

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Li, Ke, Yang, Jitai, Zhai, Yu, Li, Hui
Format:	Preprint
Veröffentlicht:	2025
Schlagworte:	Chemical Physics Materials Science Computational Physics
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Cation Dominated but Negatively Charged Na2SO4,aq-Graphene Interfaces
von: Soyemi, Ademola, et al.
Veröffentlicht: (2026)

Unraveling Lithium Dynamics in Solid Electrolyte Interphase: From Graph Contrastive Learning to Transport Pathways
von: Guan, Qiye, et al.
Veröffentlicht: (2026)

Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
von: Pols, Mike, et al.
Veröffentlicht: (2025)

NSGAN: A Non-Dominant Sorting Optimisation-Based Generative Adversarial Design Framework for Alloy Discovery
von: Li, Zhipeng, et al.
Veröffentlicht: (2024)

Phonon-Mediated Chirality Transfer from Organic Cation to Inorganic lattice in Hybrid Perovskites
von: Ramesh, Sankaran, et al.
Veröffentlicht: (2025)

Computational Analysis of Interface-Driven Spin-Orbit Coupling in Molecular Adsorbates on Transition Metal Dichalcogenides
von: Wang, Zihao, et al.
Veröffentlicht: (2025)

Synergistic Role of Transition Metals and Polyanionic Frameworks in Phosphate-Based Cathode Materials for Sodium-Ion Batteries
von: Sharma, Madhav, et al.
Veröffentlicht: (2025)

Toward Unified Interphase Engineering: The Solid-Electrolyte Interphase in Batteries and Supercapacitors
von: Hasan, Mehedi, et al.
Veröffentlicht: (2025)

The Impact of Inter-grain Phases on the Ionic Conductivity of LAGP Solid Electrolyte Prepared by Spark Plasma Sintering
von: Cretu, Sorina, et al.
Veröffentlicht: (2022)

Regularized Perturbation Theory for Ab initio Solids
von: Chen, Meng-Fu, et al.
Veröffentlicht: (2025)

Potential-Barrier Affinity Effect in Solid Systems
von: Xu, Qiang, et al.
Veröffentlicht: (2025)

Accurate Excitation Energies of Point Defects from Fast Particle-Particle Random Approximation Calculations
von: Li, Jiachen, et al.
Veröffentlicht: (2024)

Particle-Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects
von: Li, Jiachen, et al.
Veröffentlicht: (2024)

Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
von: Bystrom, Kyle, et al.
Veröffentlicht: (2023)

Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations
von: Adewuyi, Quadri O., et al.
Veröffentlicht: (2025)

Revealing Hydroxide Ion Transport Mechanisms in Commercial Anion-Exchange Membranes at Nano-Scale from Machine-learned Interatomic Potential Simulations
von: Hänseroth, Jonas, et al.
Veröffentlicht: (2026)

Ultrafast Heating Induced Suppression of $d$-band Dominance in the Electronic Excitation Spectrum of Cuprum
von: Moldabekov, Zhandos, et al.
Veröffentlicht: (2024)

Optimizing Machine Learning Potentials for Hydroxide Transport: Surprising Efficiency of Single-Concentration Training
von: Hänseroth, Jonas, et al.
Veröffentlicht: (2025)

A Rotational/Roto-translational Constraint Method for Condensed Matter
von: Yang, Jitai, et al.
Veröffentlicht: (2024)

Gel-Chemistry-Dependent Heavy-Metal Ion Transport and Immobilization in Cementitious Nanopores: A Molecular Dynamics Study
von: Chen, Weiqiang, et al.
Veröffentlicht: (2026)

Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
von: O'Neill, Niamh, et al.
Veröffentlicht: (2025)

Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-ion Battery Chemistry by Mass Spectrometry and Electro-Chemical Reaction Networks
von: Abdelgaid, Mona, et al.
Veröffentlicht: (2026)

DeepH-pack: A general-purpose neural network package for deep-learning electronic structure calculations
von: Li, Yang, et al.
Veröffentlicht: (2026)

Hamiltonian transformation for accurate and efficient band structure interpolation
von: Wu, Kai, et al.
Veröffentlicht: (2022)

Mixed Polyanionic NaFe$_{1.6}$V$_{0.4}$(PO$_{4}$)(SO$_{4}$)$_{2}$@CNT Cathode for Sodium-ion Batteries: Electrochemical Diffusion Kinetics and Distribution of Relaxation Time Analysis at Different Temperatures
von: Pati, Jayashree, et al.
Veröffentlicht: (2024)

Determining the Dielectric Constant of Solid/Liquid Interfaces
von: Dadashi, Somaiyeh, et al.
Veröffentlicht: (2024)

Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
von: Li, Jiachen, et al.
Veröffentlicht: (2024)

Global Impact and Balancing Act: Deciphering the Effect of Fluorination on B1s Binding Energies in Fluorinated $h$-BN Nanosheets
von: Xiao, Yang, et al.
Veröffentlicht: (2023)

Coupled reaction and diffusion governing interface evolution in solid-state batteries
von: Ding, Jingxuan, et al.
Veröffentlicht: (2025)

qNEP: A highly efficient neuroevolution potential with dynamic charges for large-scale atomistic simulations
von: Fan, Zheyong, et al.
Veröffentlicht: (2026)

DPA4: Pushing the Accuracy-Cost Frontier of Interatomic Potentials with EMFA SO(2) Convolution
von: Li, Tiancheng, et al.
Veröffentlicht: (2026)

Energy-Specific Bethe-Salpeter Equation Implementation for Efficient Optical Spectrum Calculations
von: Hillenbrand, Christopher, et al.
Veröffentlicht: (2024)

Prediction of Frequency-Dependent Optical Spectrum for Solid Materials: A Multi-Output & Multi-Fidelity Machine Learning Approach
von: Ibrahim, Akram, et al.
Veröffentlicht: (2024)

Path Dependence in Alchemical Calculations of Water Chemical Potential in Aqueous Electrolytes
von: Kacirani, Arlind, et al.
Veröffentlicht: (2026)

Super-Poissonian Squeezed Light in the Ground State of Strongly Coupled Light-matter Systems
von: Tasci, Cankut, et al.
Veröffentlicht: (2025)

Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems
von: Tasci, Cankut, et al.
Veröffentlicht: (2024)

DPA-2: a large atomic model as a multi-task learner
von: Zhang, Duo, et al.
Veröffentlicht: (2023)

Solid Solubility in Metallic Hydrogen
von: Seeyangnok, Jakkapat, et al.
Veröffentlicht: (2024)

Spin Symmetry in Thermally-Assisted-Occupation Density Functional Theory
von: Wang, Yu-Yang, et al.
Veröffentlicht: (2024)

Core-Ionized States and X-ray Photoelectron Spectra of Solids From Periodic Algebraic Diagrammatic Construction Theory
von: Ahmed, Abdelrahman M., et al.
Veröffentlicht: (2025)