Insights into Bulk Electrolyte Effects on the Operative Voltage of Electrochemical Double-Layer Capacitors

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• 作者：Promit Ray ; Sebastian Dohm ; Tamara Husch ; Christoph Schütter ; Kristin A. Persson ; Andrea Balducci ; Barbara Kirchner ; Martin Korth
• 刊名：Journal of Physical Chemistry C
• 出版年：2016
• 出版时间：June 16, 2016
• 年：2016
• 卷：120
• 期：23
• 页码：12325-12336
• 全文大小：843K
• 年卷期：0
• ISSN：1932-7455

文摘

Electrochemical double-layer capacitors (EDLCs) are robust, high-power, and fast-charging energy storage devices. Rational design of novel electrolyte materials could further improve the performance of EDLCs. Computational methods offer immense scope in aiding the development of such materials. Trends in experimentally observed operative voltages nevertheless remain difficult to predict and understand. We discuss here the intriguing case of adiponitrile (ADN) versus 2-methyl-glutaronitrile (2MGN) based electrolytes, which result in very different operative voltages in EDLCs despite structural similarity. As a preliminary step, bulk electrolyte effects on electrochemical stability are investigated by ab initio molecular dynamics (AIMD) and static, cluster-based quantum chemistry calculations.