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 threedimensional 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.& COPY; 2022 Institute of Process Engineering, Chinese Academy of Sciences. Publishing services by Elsevier B.V. on behalf of KeAi Communications Co., Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

Automated summary

Photo-assisted SCR (PSCR) is a potential solution for NO removal at room temperature. MnTiOx as a PSCR catalyst shows excellent performance with 100% NO removal at room temperature. EPR analysis reveals the presence of oxygen vacancies on MnTiOx, while DFT calculations show enhanced orbital hybridization of Mn and Ti under light irradiation. The MnTiOx catalyst demonstrates excellent electron-hole separation ability, adsorbing and dissociating NH3 to form NH2 fragments and H atoms. In-situ DRIFTS indicates that optical carrier enhances NH3 adsorption on MnTiOx, resulting in excellent PSCR activity. This work presents an additional strategy for NO removal with PSCR catalysts and highlights their potential in photocatalysis.