Theoretical exploration of 2,2′-bipyridines as electro-active compounds in flow batteries

Compounds from the 2,2′-bipyridine molecular family were investigated for use as redox-active materials in organic flow batteries. For 156 2,2′-bipyridine derivatives reported in the academic literature, we calculated the redox potential, the p K a for the second deprotonation reaction, and the solu...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2019-07, Vol.21 (28), p.15823-15832
Hauptverfasser:	Sánchez-Castellanos, Mariano, Flores-Leonar, Martha M, Mata-Pinzón, Zaahel, Laguna, Humberto G, García-Ruiz, Karl M, Rozenel, Sergio S, Ugalde-Saldívar, Víctor M, Moreno-Esparza, Rafael, Pijpers, Joep J. H, Amador-Bedolla, Carlos
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous solutions Carbonyls Chemical properties Derivatives Electrode potentials Functional groups Mathematical analysis Organic chemistry Rechargeable batteries Solubility
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!