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    Machine-learning-assisted optimization of a single-atom coordination environment for accelerated fenton catalysis by Fu, Haoyang, Li, Ke, Zhang, Chenfei, Zhang, Jianghong, Liu, Jiyuan, Chen, Xi, Chen, Guoliang, Sun, Yongyang, Li, Shuzhou, Ling, Lan

    Published 2023
    “…Through ML-guided optimization, a highly efficient SAC dominated by Fe-N5 sites with exceptional Fenton activity (k = 0.158 min-1) is identified. Our work provides an example for ML-assisted optimization of single-atom coordination environments and illuminates the feasibility of ML in accelerating the development of high-performance catalysts.…”
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    Journal Article