Vanadium redox flow battery (VRFB) is one of the most promising large-scale energy storage system; however, a widespread VRFB development is still limited by the poor electrochemical activity of graphite electrodes and a poor understanding of redox reactions occurring at electrode/electrolyte interface. In this work, DFT was performed to study the first solvation shell structure of all vanadium ions and to investigate the reactivity of modified graphite electrodes toward the V 2+ /V 3+ redox species. The results suggest that the presence of oxygen and nitrogen functionalities at the electrode edges provides more active sites for adsorption of the V 2+ /V 3+ redox couple, and therefore improve electron transfer kinetics. These results have been experimentally validated by means of Cyclic Voltammetry and Electrochemical Impedance Spectroscopy with carbon black electrode having different density of oxygen and nitrogen-containing surface groups. © 2019 Elsevier B.V.
Meskinfam Langroudi, M., Pomelli, C.s., Giglioli, R., Chiappe, C., Aysla Costa de Oliveira, M., Mecheri, B., et al. (2019). Interaction of vanadium species with a functionalized graphite electrode: A combined theoretical and experimental study for flow battery applications. JOURNAL OF POWER SOURCES, 134-142 [10.1016/j.jpowsour.2019.02.083].
Interaction of vanadium species with a functionalized graphite electrode: A combined theoretical and experimental study for flow battery applications
Mecheri B.;Licoccia S.;D'Epifanio A.
2019-01-01
Abstract
Vanadium redox flow battery (VRFB) is one of the most promising large-scale energy storage system; however, a widespread VRFB development is still limited by the poor electrochemical activity of graphite electrodes and a poor understanding of redox reactions occurring at electrode/electrolyte interface. In this work, DFT was performed to study the first solvation shell structure of all vanadium ions and to investigate the reactivity of modified graphite electrodes toward the V 2+ /V 3+ redox species. The results suggest that the presence of oxygen and nitrogen functionalities at the electrode edges provides more active sites for adsorption of the V 2+ /V 3+ redox couple, and therefore improve electron transfer kinetics. These results have been experimentally validated by means of Cyclic Voltammetry and Electrochemical Impedance Spectroscopy with carbon black electrode having different density of oxygen and nitrogen-containing surface groups. © 2019 Elsevier B.V.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
