Product Details of 872-36-6In 2022 ,《Solvent Degradation and Polymerization in the Li-Metal Battery: Organic-Phase Formation in Solid-Electrolyte Interphases》 appeared in ACS Applied Materials & Interfaces. The author of the article were Kuai, Dacheng; Balbuena, Perla B.. The article conveys some information:
The products of solvent polymerization and degradation are crucial components of the Li-metal battery solid-electrolyte interphase. However, in-depth mechanistic studies of these reactions are still scarce. Here, we model the polymerization of common lithium battery electrolyte solvents-ethylene carbonate (EC) and vinylene carbonate (VC)-near the anode surface. Being consistent with the mol. calculation, ab initio mol. dynamic (AIMD) simulations reveal fast solvent decompositions upon contact with the Li anode. Addnl., we assessed the thermochem. impacts of decarboxylation reactions as well as the lithium bonding with reaction intermediates. In both EC and VC polymerization pathways, lithium bonding demonstrated profound catalytic effects while different degrees of decarboxylation were observed The VC polymerization pathways with and without ring-opening events were evaluated systematically, and the latter one which leads to poly(VC) formation was proven to dominate the oligomerization process. Both the decomposition and polymerization reactivities of VC are found to be higher than EC, while the cross-coupling between EC and VC has an even lower-energy barrier. These findings are in good agreement with exptl. evidence and explanatory toward the enhanced performance of VC-added lithium-metal batteries. In addition to this study using Vinylene carbonate, there are many other studies that have used Vinylene carbonate(cas: 872-36-6Product Details of 872-36-6) was used in this study.
Vinylene carbonate(cas: 872-36-6) belongs to esters. Alkyl carbonates find applications as solvents for lithium ion battery electrolytes and the use of high quality battery grade electrolytes having extremely low water (<10 ppm) and acid (<10 ppm) contents are critical for achieving high electrochemical performance.Product Details of 872-36-6
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics