کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6602044 1424073 2018 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Computer simulation study of differential capacitance and charging mechanism in graphene supercapacitors: Effects of cyano-group in ionic liquids
ترجمه فارسی عنوان
مطالعه شبیه سازی کامپیوتری ظرفیت دیفرانسیل و مکانیزم شارژر در ابررایانه های گرافن: اثرات گروه سیانو در مایعات یونی
کلمات کلیدی
مخزن سوپر مایع یونی، الکترود گرافن، ظرفیت دیفرانسیل، الکتریکی ساختار دو لایه، مکانیزم شارژ، شبیه سازی دینامیک مولکولی،
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
چکیده انگلیسی
Molecular dynamics simulation is employed to study graphene supercapacitors. Four different ionic liquids are considered as an electrolyte, each of which is combination of the same cation 1-ethyl-3-methylimidazolium([emim]+), and different, cyano-containing anions, thiocyanate ([SCN]-), dicyanamide ([N(CN)2]-), tricyanomethanide ([C(CN)3]-), and tetracyanoborate ([B(CN)4]-), respectively. In particular we investigate how electric double layer structure and electrical properties are affected by the structure of cyano containing anions. Cations and anions make alternating structure near charged electrode. Differential capacitances in four ionic liquids are found to have a maximum value at negative potential. The maximum capacitances are comparable to each other, but the corresponding potential shifts to the negative side as more cyano groups are attached to the anion. Starting from the interfacial layer, the effects of the further ionic layers on differential capacitance are systematically investigated. Comparing charges of the electrode and those of ionic layers, we find that differential capacitance behavior mainly stems from the ion exchange between electric double layer and bulk region. The ion exchange behaviors are decomposed into cation and anion contributions. The differential charging mechanisms of the system are strongly dependent on the electric potential. The maximum capacitances are consequence of rapid desorption of respective anions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electrochimica Acta - Volume 284, 10 September 2018, Pages 577-586
نویسندگان
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