Inorganic chemistry
Interlayer Magnetic Ordering in Two-Dimensional Metal-Organic Frameworks for Electrocatalytic Oxygen Reduction: A Grand Canonical Density Functional Theory Study.
Cun-Biao Lin, Shui-Yang Fang, Ming Chen, Zhi-Rui Luo, Wen-Xian Chen, Gui-Lin Zhuang
Published: 202510.1021/acs.inorgchem.5c04059
Abstract
Herein, we present a theoretical framework to uncover the crucial roles of interlayer magnetic exchange of two-dimensional hexaaminobenzene (HAB)-based metal-organic frameworks (TM-HAB) catalysts on electrocatalytic oxygen reduction reaction (ORR) pe…
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