Enhancing phenanthrene hydrogenation via controllable phosphate deposition over Ni2P/Al2O3 catalysts

Ni 2 P/Al 2 O 3 catalysts with phosphate deposition were synthesized by a hypophosphite decomposition method. Benefiting from its spherical structure and special electronic properties derived from the deposited phosphate on the catalyst surface, the Ni-2.5P/Al 2 O 3 catalyst offered remarkable activity and stability towards phenanthrene (PHE) hydrogenation, featuring a high turnover frequency of 44.64 × 10 -3 s −1 . Extensive characterizations revealed that the control of P/Ni molar ratio could change the phosphorus migration pathway and affect the amount of the generated phosphate deposition and then the exposed active sites of Ni 2 P. Density functional theory computations indicated that the deposited phosphate could induce electron transfer from Ni to phosphate, and a certain amount of phosphate deposition can endow Ni with an appropriate electron-deficient state, which can improve the PHE adsorption and result in a facile complete PHE hydrogenation.