Mechanisms and Stability of Li Dynamics in Amorphous Li-Ti-P-S-Based Mixed Ionic-Electronic Conductors: A Machine Learning Molecular Dynamics Study
Fuente:
arXiv
Saved in:
| Main Authors: | Selvaraj, Selva Chandrasekaran, Wang, Daiwei, Wang, Donghai, Ngo, Anh T. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Exploring Li-ion Transport Properties of Li$_3$TiCl$_6$: A Machine Learning Molecular Dynamics Study
by: Selvaraj, Selva Chandrasekaran, et al.
Published: (2024)
by: Selvaraj, Selva Chandrasekaran, et al.
Published: (2024)
Unveiling the Lithium-Ion Transport Mechanism in Li2ZrCl6 Solid-State Electrolyte via Deep Learning-Accelerated Molecular Dynamics Simulations
by: Guo, Hanzeng, et al.
Published: (2025)
by: Guo, Hanzeng, et al.
Published: (2025)
Graph Neural Networks Based Deep Learning for Predicting Structural and Electronic Properties
by: Selvaraj, Selva Chandrasekaran
Published: (2024)
by: Selvaraj, Selva Chandrasekaran
Published: (2024)
Ionic Interdiffusion at Cathode-Solid-Electrolyte Interface: A Machine Learning-Assisted Multiscale Investigation and Mitigation Strategies
by: Ncube, Musawenkosi K., et al.
Published: (2025)
by: Ncube, Musawenkosi K., et al.
Published: (2025)
Predictive Machine Learning Molecular Dynamics of SEI Formation in Concentrated LiTFSI and LiPF6 Electrolytes for Lithium Metal Batteries
by: Shah, Syed Mustafa, et al.
Published: (2026)
by: Shah, Syed Mustafa, et al.
Published: (2026)
Atomic-Scale Mechanisms of Li-Ion Transport Mediated by Li10GeP2S12 in Composite Solid Polyethylene Oxide Electrolytes
by: Shah, Syed Mustafa, et al.
Published: (2025)
by: Shah, Syed Mustafa, et al.
Published: (2025)
Impact of Electron-Withdrawing Groups on Ion Transport and Structure in Lithium Borate Ionic Liquids
by: Koverga, Volodymyr, et al.
Published: (2023)
by: Koverga, Volodymyr, et al.
Published: (2023)
Interactive Multiscale Modeling to Bridge Atomic Properties and Electrochemical Performance in Li-CO$_2$ Battery Design
by: Lemaalem, Mohammed, et al.
Published: (2025)
by: Lemaalem, Mohammed, et al.
Published: (2025)
Organic Mixed Ionic Electronic Conductor Nanochannels for Vertical Electrochemical and Ionic Transistors
by: Chenhong Zhang, et al.
Published: (2024)
by: Chenhong Zhang, et al.
Published: (2024)
Machine Learning Potential Powered Insights into the Mechanical Stability of Amorphous Li-Si Alloys
by: Wei, Zixiong, et al.
Published: (2024)
by: Wei, Zixiong, et al.
Published: (2024)
Transient Charging of Mixed Ionic‐Electronic Conductors by Anomalous Diffusion
by: Heyi Zhang, et al.
Published: (2025)
by: Heyi Zhang, et al.
Published: (2025)
A Mixed Ionic/Electronic Conductor Interphase Enhances Interfacial Stability for Aluminium‐Metal Anode
by: Chen Xie, et al.
Published: (2024)
by: Chen Xie, et al.
Published: (2024)
Local Multimodal Dynamics in Mixed Ionic-Electronic Conductors and Their Fingerprints in Organic Electrochemical Transistor Operation
by: Tanwar, Shubham, et al.
Published: (2026)
by: Tanwar, Shubham, et al.
Published: (2026)
Stable Oxyhalide‐Nitride Fast Ionic Conductors for All‐Solid‐State Li Metal Batteries
by: Baochen Ma, et al.
Published: (2024)
by: Baochen Ma, et al.
Published: (2024)
Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment
by: Benjamin X. Lam, et al.
Published: (2024)
by: Benjamin X. Lam, et al.
Published: (2024)
n‐Type Organic Mixed Ionic‐Electronic Conductors for Organic Electrochemical Transistors
by: Haojie Dai, et al.
Published: (2024)
by: Haojie Dai, et al.
Published: (2024)
Molecular Chain Interpenetration–Enabled High Interfacial Compatibility of Ionic and Electronic Conductors for Stretchable Ionic Devices
by: Yaoxian Zheng, et al.
Published: (2025)
by: Yaoxian Zheng, et al.
Published: (2025)
Coherent‐Precipitation‐Stabilized Phase Formation in Over‐Stoichiometric Rocksalt‐Type Li Superionic Conductors
by: Yu Chen, et al.
Published: (2024)
by: Yu Chen, et al.
Published: (2024)
Origin of Optimal Composition and Density for Li‐Ion Diffusion in Amorphous Li–P–S Electrolytes
by: Chihun Kim, et al.
Published: (2025)
by: Chihun Kim, et al.
Published: (2025)
Moving Beyond Oligoethers: Polar Side‐Chain Engineering for Aqueous Mixed Ionic–Electronic Conductors
by: Joshua M. Rinehart, et al.
Published: (2026)
by: Joshua M. Rinehart, et al.
Published: (2026)
Enhancing Ion‐Electron Transport in Positive Electrode of Solid‐State Lithium Metal Batteries With Multifunctional Catholyte Made of Polymer Mixed Ionic‐Electronic Conductor PEDOT:PSSTFSI and Li 3 InCl 6
by: Elina Nazmutdinova, et al.
Published: (2026)
by: Elina Nazmutdinova, et al.
Published: (2026)
Accurate Description of Ion Migration in Solid-State Ion Conductors from Machine-Learning Molecular Dynamics
by: Miyagawa, Takeru, et al.
Published: (2024)
by: Miyagawa, Takeru, et al.
Published: (2024)
Air‐Stable Li2S Cathodes Enabled by an In Situ‐Formed Li+ Conductor for Graphite‐Li2S Pouch Cells
by: Xiaoqun Qi, et al.
Published: (2024)
by: Xiaoqun Qi, et al.
Published: (2024)
Revealing Short- and Long-range Li-ion diffusion in Li$_2$MnO$_3$ from finite-temperature dynamical mean field theory
by: Lee, Alex Taekyung, et al.
Published: (2026)
by: Lee, Alex Taekyung, et al.
Published: (2026)
Photoluminescence Probes Ion Insertion into Amorphous and Crystalline Regions of Organic Mixed Conductors
by: Garrett W. Collins, et al.
Published: (2024)
by: Garrett W. Collins, et al.
Published: (2024)
Super‐Ionic Conductor Soft Filler Promotes Li+ Transport in Integrated Cathode–Electrolyte for Solid‐State Battery at Room Temperature
by: Binbin Yang, et al.
Published: (2024)
by: Binbin Yang, et al.
Published: (2024)
How Particle Size Affects Consolidation Behavior, Strain and Properties of Li 6 PS 5 Cl Fast Ionic Conductors
by: Vasiliki Faka, et al.
Published: (2026)
by: Vasiliki Faka, et al.
Published: (2026)
Superionic Ionic Conductor Discovery via Multiscale Topological Learning
by: Chen, Dong, et al.
Published: (2024)
by: Chen, Dong, et al.
Published: (2024)
Stress‐Mediated Dynamic Li Plating in Practical Li Metal Pouch Cells
by: Xiangrui Duan, et al.
Published: (2025)
by: Xiangrui Duan, et al.
Published: (2025)
pH Regulates Ion Dynamics in Carboxylated Mixed Conductors
by: Sun, Zeyuan, et al.
Published: (2025)
by: Sun, Zeyuan, et al.
Published: (2025)
Polaron Transport in TiO$_{2}$ from Machine Learning Molecular Dynamics
by: Ahart, Christian S., et al.
Published: (2026)
by: Ahart, Christian S., et al.
Published: (2026)
Superionic Amorphous Li 2 ZrCl 6 and Li 2 HfCl 6
by: Shukai Yao, et al.
Published: (2026)
by: Shukai Yao, et al.
Published: (2026)
Biocompatibility and Long‐Term Stability of DNA‐Based Organic Mixed Conductors for Bioelectronics
by: Sarka Hradilova, et al.
Published: (2025)
by: Sarka Hradilova, et al.
Published: (2025)
Ultra‐Low Threshold Voltage in N‐Type Organic Electrochemical Transistors Enabled by Organic Mixed Ionic‐Electronic Conductors with Dual Electron‐Withdrawing Substitutions
by: Riqing Ding, et al.
Published: (2024)
by: Riqing Ding, et al.
Published: (2024)
Efficient Photoelectrocatalytic Synthesis of Ammonia by Superionic Conductor with Mixed Ion/Electron Conduction
by: Xiaxin Wang, et al.
Published: (2025)
by: Xiaxin Wang, et al.
Published: (2025)
Design of PEG ‐Based Hydrogels as Soft Ionic Conductors
by: Gabriel J. Rodriguez‐Rivera, et al.
Published: (2024)
by: Gabriel J. Rodriguez‐Rivera, et al.
Published: (2024)
Investigating Ionic Diffusivity in Amorphous Solid Electrolytes using Machine Learned Interatomic Potentials
by: Seth, Aqshat, et al.
Published: (2024)
by: Seth, Aqshat, et al.
Published: (2024)
Dynamic Li‐S Coordination Boosted Superionic Conduction in Cubic LiBS 2 Solid Electrolyte
by: Shaoxiong Shi, et al.
Published: (2026)
by: Shaoxiong Shi, et al.
Published: (2026)
Engineered Protein‐Based Ionic Conductors for Sustainable Energy Storage Applications
by: Juan David Cortés‐Ossa, et al.
Published: (2025)
by: Juan David Cortés‐Ossa, et al.
Published: (2025)
Topological Interstitial-Electron Conductor
by: He, Tingli, et al.
Published: (2026)
by: He, Tingli, et al.
Published: (2026)
Similar Items
-
Exploring Li-ion Transport Properties of Li$_3$TiCl$_6$: A Machine Learning Molecular Dynamics Study
by: Selvaraj, Selva Chandrasekaran, et al.
Published: (2024) -
Unveiling the Lithium-Ion Transport Mechanism in Li2ZrCl6 Solid-State Electrolyte via Deep Learning-Accelerated Molecular Dynamics Simulations
by: Guo, Hanzeng, et al.
Published: (2025) -
Graph Neural Networks Based Deep Learning for Predicting Structural and Electronic Properties
by: Selvaraj, Selva Chandrasekaran
Published: (2024) -
Ionic Interdiffusion at Cathode-Solid-Electrolyte Interface: A Machine Learning-Assisted Multiscale Investigation and Mitigation Strategies
by: Ncube, Musawenkosi K., et al.
Published: (2025) -
Predictive Machine Learning Molecular Dynamics of SEI Formation in Concentrated LiTFSI and LiPF6 Electrolytes for Lithium Metal Batteries
by: Shah, Syed Mustafa, et al.
Published: (2026)