5 papers · 1 filter
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…
Revealing the Staging Structural Evolution and Li (De)Intercalation Kinetics in Graphite Anodes via Machine Learning Potential
Liqi Wang, Xuhe Gong, Zicun Li +2
Revealing the dynamic structural evolution and lithium transport properties during the charge/discharge processes is crucial for optimizing graphite anodes in lithium-ion batteries…
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…
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…
A family of air-stable chalcogenide solid electrolytes in LiBMQ (B = Ca, Sr and Ba; M = Si, Ge and Sn; Q = O, S and Se) systems
Huican Mao, Xiang Zhu, Guangmao Li +10
Combining high-throughput first-principles calculations and experimental measurements, we have identified a novel family of fast lithium-ion chalcogenide conductors in LiBMQ$_4…