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Theoretical Investigation on the Hydrogen Evolution, Oxygen Evolution, and Oxygen Reduction Reactions Performances of Two-Dimensional Metal-Organic Frameworks Fe3(C2X)12 (X = NH, O, S)

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Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER)

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Engineering the Coordination Sphere of Isolated Active Sites to Explore the Intrinsic Activity in Single-Atom Catalysts

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Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

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Two-Dimensional Metal Hexahydroxybenzene Frameworks as Promising Electrocatalysts for an Oxygen Reduction Reaction

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Rational design of photoelectrodes for photoelectrochemical water splitting and CO2 reduction

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Synthetic Routes for a 2D Semiconductive Copper Hexahydroxybenzene Metal–Organic Framework

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DFT study of the two dimensional metal–organic frameworks X3(HITP)2 as the cathode electrocatalysts for fuel cell

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Density Functional Theory Study of Ni–Nx/C Electrocatalyst for Oxygen Reduction in Alkaline and Acidic Media

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