A Tale of Reactive Oxygen Species on the Ag<sub>3</sub>PO<sub>4</sub>(110) Surface
Felipe Lipsky, Luís Henrique da Silveira Lacerda, Lourdes Gracia, Beatriz G. Foschiani, Marcelo Assis, Mónica Oliva, E. Longo, Juán Andrés, Miguel A. San‐Miguel
Abstract
Herein, we report a study of Ag 3 PO 4 microcrystals in the accomplishment of their enhanced degradation process and bactericidal activity. Based on experimental results and density functional theory free energy profiles, we propose a new mechanism for the multifunctional competence of the Ag 3 PO 4 (110) surface. Coadsorbed H 2 O and O 2 molecules regulate an energetically favorable pathway that efficiently activates the dissociation of H 2 O and stabilizes the formed reactive oxygen species (ROS) precursors: hydroxyl (•OH) and superoxide (•O 2 – ) radicals. This work is a proof of concept to interpret the surface reactions on Ag 3 PO 4 and provides a new perspective to understand at the atomic level the catalytic process/mechanism for the initial stages of ROS production on metal oxide semiconductor surfaces.