Engineering Bifunctional Oxygen Electrocatalysts in 2D Conjugated Metal-Organic Frameworks: Theoretical Perspectives on Metal-Ligand Synergistic Effects.

Two-dimensional metal-organic frameworks (MOFs) provide a versatile platform for bifunctional oxygen electrocatalyst design by combining low-dimensionality with tunable active sites and coordination microenvironments. In this work, we evaluate the st…

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