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Updated: Jun 11, 2025

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第一原则计算和机器学习的进化反应活动的非金属化β-Mo2C支持Pt单原子催化剂

Minhui Song1,2,3, Mei Yang1,4, Shuo Yang3

  • 1Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China.

ACS applied materials & interfaces
|October 5, 2024
PubMed
概括

(Pt) 是进化反应 (HER) 的昂贵催化剂. 这项研究探讨了使用非金属化碳 (Mo2C) 支持的新型单原子催化剂 (SAC),确定高活性和具有成本效益的替代品,以有效生产.

关键词:
在 DFT 方面,它是最重要的.在这里,我们可以看到它.ML ML 在 ML这些是SACs.这就是β-Mo2C.

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