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

Yun, Yapei; Shen, Honglei; Shi, Yanan; Zhu, Yanan; Wang, Sicong; Li, Kaikai; Zhang, Bei; Yao, Tao et al. · Adv Mater · 2024

basic_science · Level V

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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<sub>2</sub> 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<sub>2</sub> 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.