Unveiling the Roles of Lattice Strain by Ni Exsolution on Photothermal Reduction of CO2 Activity in BaTiO3 Catalyst

Abstract The lattice strain influences crystal orientation, facets exposed to external light, and atom rearrangement strongly to affect catalytic activity. However, how to rationally design a metal‐oxide heterojunction catalyst with featuring lattice strain is a great challenge. Herein, a facile method is adopted to induce lattice strain upon in situ exsolution of Ni nanoparticles from Ba 0.9 Ti 0.9 Ni 0.1 O 3‐δ (BTNO) perovskite oxide, hereby enhancing the photothermal reduction of CO 2 . Lattice strain and Ni‐exsolution dual regulation ensure that the Ni‐anchored BTNO catalyst displays superb photothermal reduction activity of CO 2 . It shows a CO yield of 40.50 mmol g cat −1 h −1 and a CH 4 yield of 19.62 mmol g cat −1 h −1 , which are 14 and 73 times higher than those of BaTiO 3 . In addition, in situ DRIFTS and density functional theory (DFT) calculations reveal the CO 2 reduction pathways and strain modulates the interfacial band structure and enhances the transfer of photogenerated charge. Consequently, this study provides a new approach for achieving highly efficient photothermal catalytic reduction of CO 2 through strain engineering.