Designing a Graphene Coating-Based Supercapacitor with Lithium Ion Electrolyte: An Experimental and Computational Study via Multiscale Modeling.
Designing a Graphene Coating-Based Supercapacitor with Lithium Ion Electrolyte: An Experimental and Computational Study via Multiscale Modeling.
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DOI：
10.3390/nano11112899
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发表时间：
2021-10-29
期刊：
影响因子：
--
通讯作者：
Laudone GM
中科院分区：
文献类型：
--
作者：
Baboo JP;Babar S;Kale D;Lekakou C;Laudone GM
研究了石墨烯电极作为锂离子电解质的电化学双电层电容器（EDLC），重点考察了溶剂化和去溶剂化电解质离子对电极孔径分布（PSD）的影响。检查两种石墨烯电极涂层：低比表面积（SSA）xGNP-750涂层和基于a-MWGO（活化的微波膨胀氧化石墨烯）的高SSA涂层。该研究包括实验和计算机建模部分。实验部分包括具有xGNP-750涂层电极和EC：DMC中的电解质IM LiPF 6的EDLC的制造、材料表征和电化学测试。计算部分包括基于考虑电极PSD的连续离子传输模型的每种EDLC类型的恒电流充放电的模拟，以及分子建模以确定溶剂化和去溶剂化的电解质离子的参数及其与每种类型的电极孔表面材料的吸附能。预测与实验数据一致，对于xGNP-750涂层电极，在EC：DMC中的电解质1 M LiPF 6中产生110 F g-1的比电极电容，其比相同锂离子电解质中的高SSA a-MWGO涂层电极的比电极电容高三倍。
Graphene electrodes are investigated for electrochemical double layer capacitors (EDLCs) with lithium ion electrolyte, the focus being the effect of the pore size distribution (PSD) of electrode with respect to the solvated and desolvated electrolyte ions. Two graphene electrode coatings are examined: a low specific surface area (SSA) xGNP-750 coating and a high SSA coating based on a-MWGO (activated microwave expanded graphene oxide). The study comprises an experimental and a computer modeling part. The experimental part includes fabrication, material characterization and electrochemical testing of an EDLC with xGNP-750 coating electrodes and electrolyte 1M LiPF6 in EC:DMC. The computational part includes simulations of the galvanostatic charge-discharge of each EDLC type, based on a continuum ion transport model taking into account the PSD of electrodes, as well as molecular modeling to determine the parameters of the solvated and desolvated electrolyte ions and their adsorption energies with each type of electrode pore surface material. Predictions, in agreement with the experimental data, yield a specific electrode capacitance of 110 F g−1 for xGNP-750 coating electrodes in electrolyte 1M LiPF6 in EC:DMC, which is three times higher than that of the high SSA a-MWGO coating electrodes in the same lithium ion electrolyte.
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影响因子：
11.9
作者：
Lei, Chunhong;Amini, Negar;Lekakou, Constantina
通讯作者：
Lekakou, Constantina
影响因子：
3.2
作者：
LEKAKOU, CN;RICHARDSON, SM
通讯作者：
RICHARDSON, SM
DOI：
10.1039/a803588a
发表时间：
1998-08-21
期刊：
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
影响因子：
--
作者：
Mangelsdorf, CS;White, LR
通讯作者：
White, LR
影响因子：
3.8
作者：
Fields, Richard;Lei, Chunhong;Lekakou, Constantina
通讯作者：
Lekakou, Constantina
影响因子：
2.9
作者：
Lei, Chunhong;Markoulidis, Foivos;Lekakou, Constantina
通讯作者：
Lekakou, Constantina