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Updated: Feb 16, 2026

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作为NORR电催化剂在G/BP异构结构上固定单个过渡金属原子的设计和选:一个DFT和机器学习研究

Xiang Zhong1, Xinyi Han1, Xiaowen Sun1

  • 1School of Science, Jiangsu Ocean University, Lianyungang 222005, China.

Journal of hazardous materials
|February 14, 2026
PubMed
概括

氧化 (NOx) 的电催化降解将有害气体转化为氨 (NH3). 这项研究确定铁 (Fe) 和 (Rh) 定在石墨烯和蓝 (G/BP) 异构结构上,是该过程的高度活跃和选择性的催化剂.

关键词:
DFT计算的计算方法G/BP 异构结构的不同结构.机器学习 机器学习没有NO的还原反应.一个原子的催化剂.

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