Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 9(5), p. 4430-4454
DOI: 10.1039/c6ta09760j
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Designing strategies to tune reduction potential of organic molecules for sustainable high capacity battery application
Journal article published in 2017 by
Rafael B. Araujo,
Amitava Banerjee 
,
Puspamitra Panigrahi,
Li Yang,
Maria Strømme,
Martin Sjödin,
C. Moyses Araujo,
Rajeev Ahuja
,
Puspamitra Panigrahi,
Li Yang,
Maria Strømme,
Martin Sjödin,
C. Moyses Araujo,
Rajeev Ahuja
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Abstract
The framework of density functional theory has been applied to predict the formal potential of 137 molecules and identify promising candidates for the application as the organic electrode of rechargeable batteries.