Enhancing <sup>1</sup>O<sub>2</sub> Production with Biomimetic Pt Catalysts through Electronic Structure Modification.

Liu, Zhenjiang; Qin, Jie; Chen, Hailong; Xue, Yuan; Wang, Zedong; Shen, Bingqing; Li, Ming; Guo, Yanguo et al. · Nano Lett · 2025

basic_science · Level V

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Abstract

Singlet oxygen (<sup>1</sup>O<sub>2</sub>) is an excellent reactive oxygen species in the biomedical disinfection field; however, efficient and selective generation of <sup>1</sup>O<sub>2</sub> remains challenging. Herein, we design bioinspired Pt@UiO-66-X catalysts (X = -NH<sub>2</sub>, -H, -Br), with Pt nanoparticles as active centers and metal-organic framework (MOF) nanocavities as biomimetic binding pockets, to form a tailored electronic microenvironment for enhancing <sup>1</sup>O<sub>2</sub> generation. The results demonstrate that the electron-withdrawing functionalized Pt@UiO-66-Br can significantly improve the production efficiency of <sup>1</sup>O<sub>2</sub>, which is 1.5 and 2.5 times higher than those of Pt@UiO-66 and Pt@UiO-66-NH<sub>2</sub>, respectively. Ab initio calculations reveal that electron-withdrawing functional groups can reduce the local electron density of Pt, thereby leading to a decrease in antibonding-orbital occupancy in Pt-O<sub>ads</sub> and subsequently facilitating the formation of *OO. Importantly, the Pt@UiO-66-Br catalyst shows good antibacterial properties both in vitro and in vivo. This work provides a promising prospect for the rational design of high-performance biomimetic catalysts for antibacterial application.