3 papers
cond-mat.mtrl-sci2026
Atomic-Scale Mechanisms of Li-Ion Transport Mediated by Li10GeP2S12 in Composite Solid Polyethylene Oxide Electrolytes
Syed Mustafa Shah, Musawenkosi K. Ncube, Mohammed Lemaalem +8
Polymer electrolytes incorporating LiGePS (LGPS) nanoparticles show promise for solid-state lithium batteries owing to their enhanced ionic conductivity, though…
cond-mat.mtrl-sci2025
Ionic Interdiffusion at Cathode-Solid-Electrolyte Interface: A Machine Learning-Assisted Multiscale Investigation and Mitigation Strategies
Musawenkosi K. Ncube, Pallab Barai, Selva Chandrasekaran Selvaraj +3
Future lithium-based batteries are expected to use solid electrolytes to achieve higher energy density and fast charge capabilities. The majority of solid electrolytes are thermody…
cond-mat.mtrl-sci2025
Interactive Multiscale Modeling to Bridge Atomic Properties and Electrochemical Performance in Li-CO Battery Design
Mohammed Lemaalem, Selva Chandrasekaran Selvaraj, Ilias Papailias +5
Li-CO batteries are promising energy storage systems due to their high theoretical energy density and CO fixation capability, relying on reversible LiCO/C formation…