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Rational Design of Transition Metal-Phosphorus Dual-Atom Catalysts in Defective h-BN for CO2 Hydrogenation and Cycloaddition

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Dual-atom catalysts (DACs) have emerged as a promising platform for converting CO2 into valuable chemicals, addressing critical energy and environmental challenges. Here, we theoretically designed M1-P1/VBN catalysts by embedding single transition metal (M = I... ...