High-throughput screening of carbon nitride single-atom catalysts for nitrogen fixation based on machine learning?

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DOI:10.1039/D4TA04370G
作者：LinTao Xu, Yuhong Huang, Haiping Lin, Ruhai Du, Min Wang, Fei Ma, Xiumei Wei, Gangqiang Zhu and Jianmin Zhang
文献类型：期刊论文
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Royal Society of Chemistry (RSC)

Abstract：Compared with the traditional electrocatalyst screening of the nitrogen reduction reaction (NRR), machine learning (ML) has achieved high-throughput screening with less computational cost. I

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