Tuning the Ni/TiO2 catalyst structure during preparation for the selective hydrogenation of furfural

Background Improving the furfural (FFR) hydrogenation selectivity to obtain high value-added renewable chemicals has attracted increasing attention. Method Herein, the effect of Ni/TiO2 catalyst structure on FFR selective hydrogenation was studied by changing the Ni/TiO2 catalyst preparation process. Significant findings Ni(NO3)2 impregnated TiO2, whether calcined or not, can effectively regulate the electronic structure of Ni through the reduction of interfacial Ti4+ species. Although the oxygen vacancy (OV) content is decreased, it is distributed near Ni nanoparticles (NPs). This catalyst structure can effectively improve the selectivity of FFR hydrogenation. In contrast, when interfacial Ti4+ species are difficult to reduce, OV is caused by the spillover of active hydrogen and is far away from Ni NPs, which is not conducive to improving FFR hydrogenation selectivity. Density functional theory calculations confirm that catalyst structures with OV distribution near Ni have stronger C = O hydrogenation ability. This work paves the way for the reasonable design of Ni/TiO2 to efficiently and selectively convert biomass platform compounds into value-added products. © 2024 Taiwan Institute of Chemical Engineers