Fengyu Xie

collaborators

2 papers

cond-mat.mtrl-sci2023

Modeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes

Peichen Zhong, Fengyu Xie, Luis Barroso-Luque +2

Modern battery materials can contain many elements with substantial site disorder, and their configurational state has been shown to be critical for their performance. The intercal…

cond-mat.mtrl-sci2023

Crystal Structures and Phase Stability of the Li $_{2}$ S-P $_{2}$ S $_{5}$ System from First Principles

Ronald L. Kam, KyuJung Jun, Luis Barroso-Luque +3

The Li $_{2}$ S-P $_{2}$ S $_{5}$ pseudo-binary system has been a valuable source of promising superionic conductors, with $α$ -Li $_{3}$ PS $_{4}$ , $β$ -Li $_{3}$ PS $_{4}$ , HT-Li $_{7}$ PS $_{6}$ , and Li $_{7}$ P $_{3}$ …

Modeling intercalation chemistry with multi-redox reactions by sparse lattice models in disordered rocksalt cathodes

Crystal Structures and Phase Stability of the Li2​S-P2​S5​ System from First Principles

Crystal Structures and Phase Stability of the Li $_{2}$ S-P $_{2}$ S $_{5}$ System from First Principles