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cond-mat.mtrl-sci2026

Design principles for amorphous solid-state electrolytes

Qifan Yang, Xiao Fu, Xuhe Gong +5

Amorphous solid-state electrolytes (SSEs) offer unique advantages for next-generation batteries, but their rational design is hindered by an unclear structure-property relationship…

cond-mat.mtrl-sci2025

Accelerating Amorphous Alloy Discovery: Data-Driven Property Prediction via General-Purpose Machine Learning Interatomic Potential

Xuhe Gong, Hengbo Zhao, Xiao Fu +6

While traditional trial-and-error methods for designing amorphous alloys are costly and inefficient, machine learning approaches based solely on composition lack critical atomic st…

cond-mat.mtrl-sci2025

High-Entropy Solid Electrolytes Discovery: A Dual-Stage Machine Learning Framework Bridging Atomic Configurations and Ionic Transport Properties

Xiao Fu, Jing Xu, Qifan Yang +6

The rapid development of computational materials science powered by machine learning (ML) is gradually leading to solutions to several previously intractable scientific problems. O…

cond-mat.mtrl-sci2024

LiMnS and LiSiS as a pair of all-electrochem-active electrode and solid-state electrolyte with chemical compatibility and low interface resistance

Qifan Yang, Jing Xu, Xiao Fu +6

In solid-state batteries (SSBs), improving the physical contact at the electrode-electrolyte interface is essential for achieving better performance and durability. On the one hand…

cond-mat.mtrl-sci2024

Isolated anions induced high ionic conductivity

Qifan Yang, Jing Xu, Yuqi Wang +3

One of the key materials in solid-state lithium batteries is fast ion conductors. However, the Li+ ion transport in inorganic crystals involves complex factors, making it a mystery…