Reactive pathways toward parasitic release of singlet oxygen in metal-air batteries

Abstract The superoxide disproportionation reaction is a key step in the chemistry of aprotic metal oxygen batteries that controls the peroxide formation upon discharge and opens the way for singlet oxygen release. Here we clarify the energy landscape of the disproportionation of superoxide in aprot...

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Bibliographic Details
Main Authors: Adriano Pierini, Sergio Brutti, Enrico Bodo
Format: Article
Language:English
Published: Nature Publishing Group 2021-08-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-021-00597-3