Effect of molecular size on the electrocatalytic activity of M-N 4 -C catalysts for ORR, OER, and HER

作者：Liang Xie, Wei Zhou, Zhibin Qu, Xiaoxiao Meng, Yuming Huang, Xuewei Zhang, Chaowei Yang, Junfeng Li, Jingyu Li, Fei Sun, Jihui Gao, Guangbo Zhao · 发表于：Journal of Materials Chemistry A · 年份：2024 · DOI：10.1039/d4ta07699k · 被引用次数：12 · 研究领域：Electrocatalysts for Energy Conversion、Fuel Cells and Related Materials、Machine Learning in Materials Science

This study uses density functional theory to analyze the size-dependent electrocatalytic performance of M-N 4 -C catalysts, revealing stability and activity fluctuations, particularly for n C@FeN 4 and n C@CoN 4 .