DFT calculation, a practical tool to predict the electrochemical behaviour of organic electrolytes in aqueous redox flow batteries

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Authors: Juan Asenjo-Pascual; Ivan Salmeron-Sanchez; Pablo Mauleón; Maddalen Agirre; Ana Catarina Lopes; Oihane Zugazua; Eduardo Sánchez-Díez; Juan Ramón Avilés-Moreno; Pilar Ocón

Journal title: Journal of Power Sources

Journal number: 5

Journal publisher: Elsevier BV

Published year: 2023

DOI identifier: 10.1016/j.jpowsour.2023.232817

ISSN: 0378-7753