2021
DOI: 10.26434/chemrxiv.14720844
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Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network

Abstract: <div><div><div><p>Interfacial reactions are notoriously difficult to characterize and robust prediction of the chemical evolution and associated functionality of the resulting surface film is one of the grand challenges of materials chemistry. The solid–electrolyte interphase (SEI), critical to the operation of Li-ion batteries (LIB), exemplifies such a surface film and despite decades of work, considerable controversy remains regarding the major components of the SEI as well as their f… Show more

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