B-Doped core–shell Fe@BC nanozymes: active site identification and bacterial inhibition.

The rational design of nanozymes as new "antibiotics" for bacterial therapy is a promising area in healthcare. Herein, B-doped core–shell Fe@BC nanozymes functioned with peroxidase-like activity for bacterial inhibition were studied. Experimental and theoretical results show that the BCO2 site enables a much lower energy barrier than the BC2O site, with a positive correlation between the density and activity of BCO2. The enzyme-like and positively-charged properties of core–shell Fe@BC improve the production and utilization of ˙OH to efficiently kill bacteria. This study not only highlights a promising peroxidase mimic for hygiene management but also deepens the understanding of B-doped carbon nanozymes. [ABSTRACT FROM AUTHOR]