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Dynamically Precise Constructing Dual‐Atom Pd<sub>2</sub> Catalyst:A Monodisperse Catalyst With High Stability for Semi‐Hydrogenation of Alkyne

Yapei Yun, Honglei Shen, Yanan Shi, Yanan Zhu, Sicong Wang, Kaikai Li, Bei Zhang, Tao Yao, Hongting Sheng, Haizhu Yu, Manzhou Zhu

2024Advanced Materials22 citationsDOIOpen Access PDF

Abstract

Abstract Dual‐atom catalysts (DACs) originate unprecedented reactivity and maximize resource efficiency. The fundamental difficulty lies in the high complexity and instability of DACs, making the rational design and targeted performance optimization a grand challenge. Here, an atomically dispersed Pd 2 DAC with an in situ generated Pd─Pd bond is constructed by a dynamic strategy, which achieves high activity and selectivity for semi‐hydrogenation of alkynes and functional internal acetylene, twice higher than commercial Lindlar catalyst. Density functional theory calculations and systematic experiments confirms the ultrahigh properties of Pd 2 DAC originates from the synergistic effect of the dynamically generated Pd─Pd bonds. This discovery highlights the potential for dynamic strategies and opens unprecedented possibilities for the preparation of robust DACs on an industrial scale.

Topics & Concepts

CatalysisMaterials scienceAcetyleneDensity functional theoryRational designAlkyneReactivity (psychology)DispersityCombinatorial chemistryDual (grammatical number)SelectivityAtom (system on chip)Triple bondNanotechnologyComputational chemistryOrganic chemistryChemistryComputer scienceDouble bondPolymer chemistryParallel computingPathologyMedicineArtLiteratureAlternative medicineElectrocatalysts for Energy ConversionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions
Dynamically Precise Constructing Dual‐Atom Pd<sub>2</sub> Catalyst:A Monodisperse Catalyst With High Stability for Semi‐Hydrogenation of Alkyne | Litcius