Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 26(24), p. 16207-16219, 2022
DOI: 10.1039/d2cp01717b
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Anthraquinone and its derivatives as sustainable materials for electrochemical applications – a joint experimental and theoretical investigation of the redox potential in solution
Journal article published in 2022 by
Josef M. Gallmetzer 
,
Stefanie Kröll ,
Daniel Werner ,
Dominik Wielend ,
Mihai Irimia-Vladu ,
Engelbert Portenkirchner ,
Niyazi Serdar Sariciftci ,
Thomas S. Hofer
,
Stefanie Kröll ,
Daniel Werner ,
Dominik Wielend ,
Mihai Irimia-Vladu ,
Engelbert Portenkirchner ,
Niyazi Serdar Sariciftci ,
Thomas S. Hofer
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Abstract
Correlations between quantum chemically determined 1- and 2e− electrochemical potentials for different AQ systems obtained at DFT and DFTB levels show very good agreement with newly measured experimental data determined via CV measurements.