Subnanometric Ni-anchored on boron, nitrogen co-doped carbon with vertically aligned MoS₂ boosting catalytic activity in fatty acid hydrogenation

Herein, we successfully prepared the subnanometric Ni anchored on boron and nitrogen co-doped carbon, featuring vertically aligned molybdenum disulfide (MoS₂) for hydrogenation conversion of fatty acid into alkanes. Remarkably, the Ni/MoS₂@BNC catalyst with a relatively low Ni loading (approximately 1.0 wt%) exhibited outstanding performance and great stability, achieving complete conversion of fatty acid with octadecane and heptadecane selectivity of 94.6 % and 5.4 % at the condition of 245 ℃, 3 MPa H₂ and 6 h. Based on the density functional theory (DFT) calculations and experimental results, the excellent catalytic properties of Ni/MoS₂@BNC catalyst are attributed to the synergistic effect between subnanometric Ni and N, B co-doped carbon material. This synergy creates abundant basic sites, modulates the electronic structure, and shifts the d-band center downward, which promotes a preferential adsorption of H₂ and CH₃CH₂COOH, further enhancing the hydrogenation conversion of fatty acid into alkanes.