95 citations · 157 across the 8 of their papers we have counts for
8 papers
Superionic surface Li-ion transport in carbonaceous materials
Jianbin Zhou, Shen Wang, Chaoshan Wu +17
Unlike Li-ion transport in the bulk of carbonaceous materials, little is known about Li-ion diffusion on their surface. In this study, we have discovered an ultra-fast Li-ion trans…
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Matthew L. Evans, Johan Bergsma, Andrius Merkys +56
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…
Robust Training of Machine Learning Interatomic Potentials with Dimensionality Reduction and Stratified Sampling
Ji Qi, Tsz Wai Ko, Brandon C. Wood +2
Machine learning interatomic potentials (MLIPs) enable the accurate simulation of materials at larger sizes and time scales, and play increasingly important roles in the computatio…
Machine Learning Moment Tensor Potential for Modelling Dislocation and Fracture in L1-TiAl and D0-TiAl Alloys
Ji Qi, Z. H. Aitken, Qingxiang Pei +7
Dual-phase -TiAl and -TiAl alloys exhibit high strength and creep resistance at high temperatures. However, they suffer from low tensile ductility and fracture toughn…
Compositionally Complex Perovskite Oxides as a New Class of Li-Ion Solid Electrolytes
Shu-Ting Ko, Tom Lee, Ji Qi +10
Compositionally complex ceramics (CCCs), including high-entropy ceramics (HECs) as a subclass, offer new opportunities of materials discovery beyond the traditional methodology of…
Synthetic control of structure and conduction properties in Na-Y-Zr-Cl solid electrolytes
Elias Sebti, Ji Qi, Peter M. Richardson +9
In the development of low cost, sustainable, and energy-dense batteries, chloride-based compounds are promising catholyte materials for solid-state batteries owing to their high Na…
Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolytes
Tom Lee, Ji Qi, Chaitanya A. Gadre +11
Oxide solid electrolytes (OSEs) have the potential to achieve improved safety and energy density for lithium-ion batteries, but their high grain-boundary (GB) resistance is a gener…
Bridging the Gap Between Simulated and Experimental Ionic Conductivities in Lithium Superionic Conductors
Ji Qi, Swastika Banerjee, Yunxing Zuo +5
Lithium superionic conductors (LSCs) are of major importance as solid electrolytes for next-generation all-solid-state lithium-ion batteries. While molecular dynamics…