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

Fuente: arXiv
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Bibliographic Details
Main Authors: Vo, Ethan A., Vuong, Hung T., Goldsmith, Zachary K., Ye, Hong-Zhou, Wei, Yujing, Kundu, Sohang, Farahvash, Ardavan, Agarwal, Garvit, Friesner, Richard A., Berkelbach, Timothy C.
Format: Preprint
Published: 2026
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