most citedReaction dynamics of lithium-mediated electrolyte decomposition using machine learning potentials

1 citations · 1 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2026

Adsorption energies and decomposition barrier heights for ethylene carbonate on the surface of lithium from cluster-based quantum chemistry

Ethan A. Vo, Hung T. Vuong, Zachary K. Goldsmith +7

For ethylene carbonate on the (100) surface of lithium, we calculate the adsorption energy in two binding motifs as well as the barrier height for a ring-opening decomposition reac…

physics.chem-ph2025★ 1 cited

Reaction dynamics of lithium-mediated electrolyte decomposition using machine learning potentials

Sohang Kundu, Diana Chamaki, Hong-Zhou Ye +2

We study the ring-opening decomposition of ethylene carbonate in the presence of a single lithium atom and on the surface of lithium metal. Combining accurate electronic structure…