2024
DOI: 10.1002/jcc.27299
|View full text |Cite
|
Sign up to set email alerts
|

Development of a multi‐step screening procedure for redox active molecules in organic radical polymer anodes and as redox flow anolytes

Andreas J. Achazi,
Xhesilda Fataj,
Philip Rohland
et al.

Abstract: Benzo[d]‐X‐zolyl‐pyridinyl (XO, S, NH) radicals represent a promising class of redox‐active molecules for organic batteries. We present a multistep screening procedure to identify the most promising radical candidates. Experimental investigations and highly correlated wave function‐based calculations are performed to determine benchmark redox potentials. Based on these, the accuracies of different methods (semi‐empirical, density functional theory, wave function‐based), solvent models, dispersion corrections,… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Year Published

2025
2025
2025
2025

Publication Types

Select...
1

Relationship

0
1

Authors

Journals

citations
Cited by 1 publication
references
References 132 publications
0
0
0
Order By: Relevance