Electronegativity-oriented coordination regulation of main-group metal single-atom catalysts for oxygen reduction to H2O2: A combined study of first-principles and machine learning

Hao Chen, Haiyuan Liao, Qi Zhou, Yang Liu, Guojun Liu, Yuan Yao

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Chinese Chemical Letters ›› 2026, Vol. 37 ›› Issue (03) : 110711. DOI: 10.1016/j.cclet.2024.110711
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Electronegativity-oriented coordination regulation of main-group metal single-atom catalysts for oxygen reduction to H2O2: A combined study of first-principles and machine learning

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