Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2024
A Data-driven Framework to Accelerate the Discovery of Hybrid Cathode Materials for Metal-based Batteries
Ahmed H. Biby, Benjamin S. Rich, Charles B. Musgrave
Selecting materials for hybrid cathodes for batteries, which combine intercalation and conversion materials, has gained interest due to their unique synergistic properties, which a…
cond-mat.mtrl-sci2024
BEAST DB: Grand-Canonical Database of Electrocatalyst Properties
Cooper Tezak, Jacob Clary, Sophie Gerits +12
We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent…