DataVXACS Materials LettersPaper
journal article·2021-11-01Open access

Cross-Platform Classifier of Chemical Stability for Charged Redoxmers

Benjamin Silcox, Jingjing Zhang, Siu On Tung, Ilya A. Shkrob, Lu Zhang, Levi T. Thompson

ACS Materials Letters· Volume 3· Issue 11
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Source abstract

Abstract

The development of new redox flow battery chemistries is hampered by time-consuming organic syntheses and electrochemical characterization of candidate redoxmer molecules. Here, we use Sure Independence Screening and Sparsifying Operator (SISSO) to demonstrate a cross-platform classifier for chemical stability of charged redoxmers in electrolyte solutions. This SISSO model yields a single formula to separate positively charged dialkoxyarene catholytes and negatively charged pyridinium anolytes into stable and unstable species in acetonitrile-based electrolytes as probed through cyclic voltammetry measurements. Using such classifiers, the stability of new compounds across different synthetic platforms can be rapidly assessed.
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Research context

Energy storage

OpenAlex topics: Advanced battery technologies research · Electrocatalysts for Energy Conversion · Conducting polymers and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemical Engineering, University of Michigan, 2300 Hayward Street, Ann Arbor, Michigan 48109, United States

Joint Center for Energy Storage Research, Argonne National Laboratory, Argonne, Illinois 60439, United States

Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439-4837, United States

Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Newark, Delaware 19716, United States

Funding

Basic Energy Sciences

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