Fig. 6: Simulated restructuring of Pt–Co bimetallic catalyst.

a Snapshot of the restructuring behavior of the PtCo5 catalyst under oxidized atmosphere. b–d Contour plots of concentration gradient of Pt (b), Co (c), and O (d) elements at the initial and final stages of the simulation. e The gradient distribution of Co–O bond order as a function of the simulation time. f The number of Co–O bond as a function of the simulation time.