Robust photo-assisted removal of NO at room temperature: Experimental and density functional theory calculation with optical carrier

Photo-assisted SCR (PSCR) offers a potential solution for removal of NO at room temperature. MnTiOx as PSCR catalyst exhibits superior performance with NO removal of 100% at the room temperature. Electron paramagnetic resonance (EPR) analysis revealed the presence of numerous oxygen vacancies on MnTiOx. Optical carrier density functional theory (DFT) calculations showed that the three-dimensional orbital hybridization of Mn and Ti is significantly enhanced under light irradiation. The MnTiOx catalyst exhibited excellent electron–hole separation ability, which can adsorbe NH3 and dissociate to form NH2 fragments and H atoms. In-situ diffuse reflectance infrared fourier-transform spectroscopy (DRIFTS) indicated that the optical carrier enhanced NH3 adsorption on MnTiOx, which makes it possess excellent PSCR activity. This work provided an additional strategy to NO removal with PSCR catalysts and showed potential for use in photocatalysis.