Black phosphorus hybridizing produces electron-deficient active sites on palladium nanoparticles for catalysis

The electronic structure of supported metal catalysts efficiently affects molecule adsorption energy and reaction energy barriers, which are crucial to the activity of a catalyst. By preparing nanohybrids palladium nanoparticle supported on few-layer black phosphorus (Pd P/FL-BP) as a catalyst, the electron-deficient structure of palladium nanoparticles induced by black phosphorus modification is demonstrated. The as-synthesized Pd P/FL-BP exhibits much enhanced catalytic activity for the hydrogenation of 4-nitrophenol to 4-aminophenol, even higher than the best performances reported to date. Density functional theory calculations indicate that the high activity correlates with the electron-deficient Pd atoms, which help to reduce the adsorption energy of reactants and promote desorption of products from the electron-deficient active sites.

Automated summary

The electronic structure of supported metal catalysts plays a crucial role in affecting molecule adsorption energy and reaction energy barriers, therefore influencing the overall catalytic activity. By preparing palladium nanoparticles supported on few-layer black phosphorus as a catalyst, the electron-deficient structure of palladium nanoparticles induced by black phosphorus modification was demonstrated, leading to enhanced catalytic activity. Density functional theory calculations revealed that the high activity of the catalyst is correlated with the electron-deficient Pd atoms, which lower reactant adsorption energy and promote product desorption.