Understanding polyoxometalates as water oxidation catalysts through iron <i>vs.</i> cobalt reactivity
Khalid Azmani, María Besora, Joaquín Soriano‐López, Meriem Landolsi, Anne‐Lucie Teillout, Pedro de Oliveira, Israël M. Mbomekallé, Josep M. Poblet, José Ramón Galán‐Mascarós
Abstract
[double bond, length as m-dash]O) species, which receives a water nucleophilic attack to form the O-O bond. The latter has activation energies slightly higher than those computed for the Co-POMs, in good agreement with experimental observations. These results provide new insights for the accurate understanding of the structure-reactivity relationships of polyoxometalates in particular, and or metal oxides in general, which are of utmost importance for the development of new bottom-up synthetic approaches to design efficient, robust and non-expensive earth-abundant water oxidation catalysts.