Fully‐Exposed Pd Cluster Catalyst: An Excellent Catalytic Antibacterial Nanomaterial

Abstract Exploring antibacterial nanomaterials with excellent catalytic antibacterial properties has always been a hot research topic. However, the construction of nanomaterials with robust antibacterial activity at the atomic level remains a great challenge. Here a fully‐exposed Pd cluster atomically‐dispersed on nanodiamond‐graphene (Pd n /ND@G) with excellent catalytic antibacterial properties is reported. The fully‐exposed Pd cluster nanozyme provides atomically‐dispersed Pd cluster sites that facilitate the activation of oxygen. Notably, the oxidase‐like catalytic performance of the fully‐exposed Pd cluster nanozyme is much higher than that of Pd single‐atom oxidase mimic, Pd nanoparticles oxidase mimic and even the previously reported palladium‐based oxidase mimics. Under the density functional theory (DFT) calculations, the Pd cluster sites can efficiently catalyze the decomposition of oxygen to generate reactive oxygen species, resulting in strong antibacterial properties. This research provides a valuable insight to the design of novel oxidase mimic and antibacterial nanomaterial.