Control of lithium salt partitioning, coordination, and solvation in vitrimer electrolytes
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https://www.materialsdatafacility.org/detail/jang_vu_vitrimer_calculations_v1.4
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资源简介：
Structures for polyethylene oxide (PEO) molecules (repeating units 2, 4, and 6) with a vinylogous urethane cross linker. Pre-relaxed and relaxed structures are provided. A Li+ ion is placed along different sites of the polymer backbone to calculate the binding energies at different oxygen sites.
提供机构：
Materials Data Facility
创建时间：
2023-09-22
