Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO3 (B = Cr, Mn, Fe, Co and Ni)

Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP02834E, Paper

Yueh-Lin Lee, Milind J. Gadre, Yang Shao-Horn, Dane Morgan
Theoretical ORR volcano of LaBO₃ perovskite (001) surfaces at stable adsorbate coverage.
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