Theoretical Investigation on the Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reactions Performances of Two-Dimensional Metal-Organic Frameworks Fe<sub>3</sub>(C<sub>2</sub>X)<sub>12</sub> (X = NH, O, S)

Theoretical Investigation on the Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reactions Performances of Two-Dimensional Metal-Organic Frameworks Fe<sub>3</sub>(C<sub>2</sub>X)<sub>12</sub> (X = NH, O, S)

Two-dimensional metal-organic frameworks (2D MOFs) inherently consisting of metal entities and ligands are promising single-atom catalysts (SACs) for electrocatalytic chemical reactions. Three 2D Fe-MOFs with NH, O, and S ligands were designed using density functional theory calculations, and their...

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Bibliographic Details
Main Authors: Xiaohang Yang, Zhen Feng, Zhanyong Guo
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Molecules
Subjects:
two-dimensional metal-organic framework
ligand
single-atom catalysts
hydrogen evolution reaction
oxygen evolution reaction
oxygen reduction reaction
Online Access:https://www.mdpi.com/1420-3049/27/5/1528

Internet

https://www.mdpi.com/1420-3049/27/5/1528

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