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Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts

Mingye Huang, Ruiyang Shi, Heng Liu, Wenjun Ding, Jiahang Fan, Binghui Zhou, Bo Da, Zhengyang Gao, Hao Li, Weijie Yang.

The Journal of Physical Chemistry C 129 [10] 5043-5053. 2025.

https://doi.org/10.1021/acs.jpcc.5c00491

Open Access American Chemical Society (ACS) (Publisher) Materials Data Repository (MDR)

NIMS author(s)

Fulltext and dataset(s) on Materials Data Repository (MDR)

MDRavailable Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts

Created at: 2025-12-16 03:09:48 +0900 Updated at: 2026-09-26 04:35:56 +0900

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