Author

Zhen-Peng Yao

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Open access Sep 2026

Database-guided thermodynamic-kinetic regulation for PtNi-based intermetallic electrocatalysts

Pt-Ni alloys exhibit outstanding oxygen reduction reaction (ORR) activity, yet achieving structural ordering to enhance stability remains a persistent challenge. Here, we propose a database-guided screening strategy to identify promoter elements (X) that facilitate ordering. By screening the critical disorder-to-order...

An-Ran Song, Yi Li, Jia-Kang Tian et al. · Science Advances · 0 citations

Interpretable Nanoporous Materials Design with Equivariant Networks

A three-dimensional periodic space sampling method that decomposes large nanoporous structures into local geometrical sites for combined property prediction and site-wise contribution quantification and enables the interpretation of the prediction and allows for accurate identification of significant local sites for ta...

Zhenhao Zhou, Salman Bin Kashif, Han Hao et al. · 0 citations