Designing better cathode materials for solid oxide fuel cells can be aided by quantum-chemical calculations on oxygen reduction on Sr-doped LaMnO3 surfaces (La0.5Sr0.5MnO3=LSM0.5), which show that the reaction (see energy profile [eV]) proceeds via superoxo- (La-super and Mn-super) and peroxo-like (Mn-per) intermediates, dissociation and incorporation into the bulk (La-diss and Mn-diss), and diffusion to a more stable site (Product). YSZ=yttria-stabilized zirconia.
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Choi et al. (2007) studied this question.
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