Pd nanoparticles-decorated borophene nanosheets for intrinsic polarization-induced visible light photocatalysis

Abstract

The synthesis of freestanding borophene has remarkable applications in the field of catalysis. Several theoretical studies demonstrated the catalytic properties of borophene-based materials. However, its practical applications remain relatively unexplored. Herein, Pd nanoparticles-decorated freestanding borophene nanosheets (Pd–B) were synthesized successfully, which exhibit photocatalytic properties owing to their polarization-enhanced activity. Density functional theory (DFT) calculations suggest that Pd atoms occupy the alternating hexagonal holes of borophene, resulting in a stable heterostructure, and the electron transfer from Pd to boron creates an intrinsic polarization. In the presence of visible light, Pd–B degrades and subsequently mineralizes the organic pollutants due to efficient separation of photogenerated charge carriers along with the availability of multiple catalytic sites. These findings indicate that metal nanoparticles-decorated borophene-based heterostructures are not only promising candidates for photocatalysis but also can be exploited for other catalytic processes.