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通过计算数据驱动的方法指导硫电池的溶剂地图

Rasha Atwi1, Nav Nidhi Rajput1

  • 1Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY 11794, USA.

Patterns (New York, N.Y.)
|September 18, 2023
PubMed
概括

为硫电池设计最佳电解质至关重要. 计算化学揭示了多硫化物溶解度取决于多种溶剂因素,而不仅仅是介电常数,指导未来的电池设计.

关键词:
结合的能量是有约束力的.我们的数据库数据库数据库数据库.密度函数理论密度函数理论电解质的电解质是一种电解质.高通量计算的计算方法- 硫电池的使用情况.分子动力学模拟的模拟.量子化学是一种量子化学.溶剂溶剂的使用方法它具有结构和动态特性.

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Solvents01:12

Solvents

A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
A...
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