Fig. 5: Theoretical study the enhanced performance of PtFe@FeSAs-N-C electrocatalyst.
From: Spin occupancy regulation of the Pt d-orbital for a robust low-Pt catalyst towards oxygen reduction
a The work function (eΦ) of PtFe (111). b Gibbs free energy diagram of ORR on PtFe (111), Pt (111)/ FeN4, Pt (111), and FeN4 at U = 0 V. c Gibbs free energy diagram of ORR on PtFe (111), Pt (111), and FeN4 at U = 0.85 V. d Energy barrier for OH* protonation to form H2O. e Gibbs free energy diagram of ORR on Pt (111)/ FeN4, Pt (111), and FeN4 at U = 0.85 V. (dark blue, rose red, blue, red, gray, and white spheres represent Pt, Fe, N, O, C, and H atoms, respectively).
