Theoretical insights on the hydrogen peroxide reactivity on Cu-doped Fe3O4 (111) surface

TOMAS SOTERAS; PABLO LUSTEMBERG; VERONICA M. SANCHEZ; DARIO A. ESTRIN; M. VERONICA GANDUGLIA PIROVANO

Zaragoza

Congreso; ZCAM-ASEVA metal oxide ultathin films and nanostructures; 2022

Nanozymes constitute the synthetic counterpart of natural enzymes, and have the inherent ability for mimicking their catalytic activity. These enzymatic-like properties are being increasingly used for generating or scavenging reactive oxygen species through catalytic reactions. Fe3O4 nanoparticles were discovered to possess intrinsic peroxidase-like activity [1], where its function is to break down hydrogen peroxide (H2O2), which is one of the toxins produced as a byproduct of using oxygen for respiration. In order to increase the activity of H2O2, it is proposed to modify the Fe3O4 catalyst by doping it with Cu. In this work, we will show the first steps in this sense, where the Fe3O4 (111) surface will be theoretically modeled.