Fig. 7: Evaluation of the catalytic mechanism by DFT calculations.
From: Electrocatalytic water oxidation with manganese phosphates
The calculated OER pathways of the KMnPO4 (a) and KMnPO4•H2O (b) catalysts. Schematic of the Gibbs free energy changes for the elementary steps during OER based on DFT calculations in KMnPO4 (c) and KMnPO4•H2O (d) catalysts.
