Efficient NO removal and photocatalysis mechanism over Bi-metal@Bi2O2[BO2(OH)] with oxygen vacancies

Photocatalysis technology prevails as a feasible option for air pollution control, in which high-efficiency charge separation and effective pollutant activation are the crucial issues. Here, this work designed Bi-metal@ Bi2O2[BO2(OH)] with oxygen vacancies (OVs) catalyst for photocatalytic oxidation of NO under visible light, to shed light on the above two processes. Experimental characterizations and density functional theory (DFT) calculations reveal that a unique electron transfer covalent loop([Bi2O2](2+) -> Bi-metal -> O-2(-))can be formed during the reaction to guide the directional transfer of carriers, significantly improving the charge separation efficiency and the yield of active oxygen species. Simultaneously, the defect levels served by OVs also play a part. During the NO purification process, in-situ DRIFTS assisted with DFT calculations reveal that Bi metals could be functioned as electron donors to activate NO molecules and form NO-, a key intermediate. This induces a new reaction path of NO -> NO- -> NO3- to achieve the harmless conversion of NO, effectively restraining the generation of noxious intermediates (NO2, N2O4). It is expected that this study would inspire the design of more artful photocatalysts for effective charge transfer and safe pollutants purification.

Automated summary

This study presents a catalyst design for the photocatalytic oxidation of NO under visible light, using Bi-metal@ Bi2O2[BO2(OH)] catalyst with oxygen vacancies (OVs). The study reveals the key mechanisms of improved charge separation efficiency and active oxygen species generation, along with the unique electron transfer covalent loop. The catalyst also serves as an electron donor to activate NO molecules and achieve the harmless conversion of NO.