3 papers
cond-mat.mtrl-sci2026
At-Scale Data-Driven Exploration of High-Voltage Cathode-Active Materials for Sodium Batteries
Suchona Akter, Mohammad R. Momeni
Sodium-ion batteries (SIBs) share similar electrochemistry with Li but offer several advantages, including high abundance in nature and low cost, as well as suitability for fast ch…
physics.chem-ph2025
Elucidating Ion Capture and Transport Mechanisms of Preyssler Anions in Aqueous Solutions Using Biased MACE-Accelerated MD Simulations
Quadri O. Adewuyi, Suchona Akter, Md Omar Faruque +4
Equilibrium and biased MACE accelerated MD simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P5W30} Preyssler anion (PA…
cond-mat.mtrl-sci2025
Mechanism of Charge Transport in Mixed-Valence 2D Layered Hybrid Bronze Materials
Suchona Akter, Mohammad R. Momeni
Two-dimensional layered bronze (HB) materials are a new class of mixed-valence hybrid organic-inorganic metal oxides that demonstrate great potential as advanced functional materia…