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Author

Yuxiang Tang

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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. · 0 citations
Aug 2026

Stabilizing Anion-Derived Interphase by Machine-Learning-Accelerated Screening of Out-of-Shell Co-Solvents for Aqueous Zinc Batteries.

Aqueous zinc batteries (AZBs) lack a stable anion-derived solid electrolyte interphase (SEI) on the Zn anode, resulting in severe competition between Zn deposition and the hydrogen evolution reaction (HER). A conventional in-shell co-solvent coordinates strongly with Zn2+, displacing coordinated water and weakening Zn2...

Yaxin Ru, Feng Wang, Xiaoyu Yu et al. · 0 citations

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