Effect of molecular size on the electrocatalytic activity of M-N<sub>4</sub>-C catalysts for ORR, OER, and HER
Liang Xie, Wei Zhou, Zhibin Qu, Xiaoxiao Meng, Yuming Huang, Xuewei Zhang, Chaowei Yang, Junfeng Li, Jingyu Li, Fei Sun, Jihui Gao, Guangbo Zhao
Abstract
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 .
Topics & Concepts
CatalysisChemistryMaterials scienceCombinatorial chemistryBiochemistryElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMachine Learning in Materials Science