Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7727089 | Journal of Power Sources | 2016 | 8 Pages |
Abstract
The development of new electrolytes is a centerpiece of many strategies to improve electrochemical double layer capacitor (EDLC) devices. We present here a computational screening-based rational design approach to find new electrolyte materials. As an example application, the known chemical space of almost 70 million compounds is investigated in search of electrochemically more stable solvents. Cyano esters are identified as especially promising new compound class. Theoretical predictions are validated with subsequent experimental studies on a selected case. These studies show that based on theoretical predictions only, a previously untested, but very well performing compound class was identified. We thus find that our rational design strategy is indeed able to successfully identify completely new materials with substantially improved properties.
Related Topics
Physical Sciences and Engineering
Chemistry
Electrochemistry
Authors
Christoph Schütter, Tamara Husch, Venkatasubramanian Viswanathan, Stefano Passerini, Andrea Balducci, Martin Korth,