Conformational Control as a Design Strategy to Tune the Redox Behavior of Benzotriazole Negolytes for Nonaqueous Flow Batteries
Source abstract
Abstract
Here, we present a molecular engineering strategy to tune the reduction potentials of benzotriazole derivatives as high-energy-density negolytes in nonaqueous redox flow batteries. Within nonaqueous electrolytes, these derivatives, notably 2-( o -tolyl)-2 H -benzo[ d ][1,2,3]triazole ( 1 ), demonstrate a theoretical capacity of up to 93.8 Ah L –1 and a reduction potential of −2.35 V vs ferrocene/ferrocenium (Fc/Fc + ). Introducing dimethyl substitution (i.e., 2-(2,6-dimethylphenyl)-2 H -benzo[ d ][1,2,3]triazole ( 4 )) shifts the reduction potential even more negatively to −2.55 V vs Fc/Fc + . We ascribe the nonlinear effect of dimethyl substitution on reduction potential to ground-state conformational effects. Flow battery tests with negolyte 1 and ferrocene posolyte demonstrated >90% Coulombic efficiency at 6.7 mA cm –2 with improved cyclability in the presence of lithium bis(trifluoromethylsuylfonyl)imide supporting salt.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advanced battery technologies research · Conducting polymers and applications · Electrochemical Analysis and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Chemical and Biomolecular Engineering
Case Western Reserve University
Department of Chemistry
Texas A&M University
Funding
Welch Foundation · Basic Energy Sciences
References (49)
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