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

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.