3D printed SrNbO2N photocatalyst for degradation of organic pollutants in water

Abstract

Organic pollutants in water are a major concern for the environment and human health, and require urgent attention. Here, we developed for the first time monolithic structures by 3D printing of perovskite metal oxynitride, SrNbO₂N, for photocatalytic degradation of organic pollutant in water. Advanced, synchrotron-based XRD-CT measurements were employed to gain structural insight into photocatalyst formulation and assess the fidelity of design in terms of both the chemical and physical form of the photocatalysts to be imaged. Our 3D printed material showed excellent photocatalytic activity, degrading 100% of methylene blue (MB) as well as good stability for three cycle operations. This is due to high adsorption of the 3D printed oxynitride towards MB which enhanced its photoredox reactivity. It is also evident from the excellent charge transfer demonstrating a charge transfer rate of (1.5 ± 0.2) × 10⁸ s⁻¹. We performed Time-Dependent Density Functional Theory (TD-DFT) calculations to understand the photocatalyst structure and degradation pathways. Our calculated band gap (at Γ) of 1.88 eV is in good agreement with the experimental values. We found that the highest valence bands were contributed by N p orbitals and the lowest conduction bands corresponded to Nb d orbitals offering avenues for fine-tuning the band gap. Hence, the ability to tailor photocatalyst monoliths by 3D printing renders their water treatment application more facile compared to their powder suspension counterparts.