Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 4(19), p. 3307-3314
DOI: 10.1039/c6cp07435a
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Assessing the electrochemical properties of polypyridine and polythiophene for prospective applications in sustainable organic batteries
Journal article published in 2017 by
Rafael B. Araujo 
,
Amitava Banerjee ,
Puspamitra Panigrahi,
Li Yang,
Martin Sjödin,
Maria Strømme,
C. Moyses Araujo,
Rajeev Ahuja
,
Amitava Banerjee ,
Puspamitra Panigrahi,
Li Yang,
Martin Sjödin,
Maria Strømme,
C. Moyses Araujo,
Rajeev Ahuja
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Abstract
In this work, a theoretical protocol has been developed to calculate redox potentials in solution within the framework of the density functional theory and using continuous solvation model.