Open access
2026
Structural evolution and stability of PtCo clusters from global optimization and DFT insights
The structural optimization of bimetallic clusters requires the simultaneous exploration of atomic coordinates and chemical ordering. Here, an improved differential evolution algorithm with a multi-subpopulation collaborative architecture is applied to PtCo clusters at two representative magic sizes, N= 13 and N= 38. T...
Xiao-Min Wu, Yuxiang Tang, Miao He et al.
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