کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6471443 1424124 2017 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Solvation structure in dilute to highly concentrated electrolytes for lithium-ion and sodium-ion batteries
ترجمه فارسی عنوان
ساختار حلال در الکترولیت های رقیق شده به شدت متمرکز برای باتری های لیتیوم یون و سدیم یون
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
چکیده انگلیسی

The solvation structure of several lithium and sodium based electrolytes are explored as a function of salt concentration over a wide range via a detailed PM7 computational study. The cation coordination shells are found to be well-defined and solvent rich for dilute electrolytes, while disordered and anion rich for the more concentrated electrolytes. The Na-based electrolytes display larger cation coordination shells with a more pronounced presence of fluorine as compared to the Li-based electrolytes. The origins of the structural differences are discussed as well as their consequences for properties of battery electrolytes and battery usage-especially targeting the current large interest in highly concentrated electrolytes.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electrochimica Acta - Volume 233, 10 April 2017, Pages 134-141
نویسندگان
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