Authors: Chang‐Song Ma, Wenxuan Fan, Yuan Kong, Cong Xu, Chenyang Dong, Shi‐Long Xu, Ming Zuo, Lu‐Jie Zuo, Xinming Nie, Wen‐An Tie, Xiao‐Yan Tian, Bo Wang, Yan Yan, Hai‐Wei Liang, Mingkai Liu
Published: 2025-05-29
Source: Full article
AbstractDesigning low‐cost, nontoxic, and earth‐abundant transition metal catalysts for the selective hydrogenation of alkynes is important but high selectivity and hydrogenation activity simultaneously remains challenging. Herein, an anti‐perovskite crystal structure Ni3InC0.5 catalyst supported on a defective nanodiamond graphene (ND@G) is reported, which exhibits excellent catalytic performance for the selective conversion of C2H2 to C2H4, i.e., with high conversion (95%), high selectivity (85%), and good stability (over 250 h). Density functional theory calculations and performance analysis reveal that synergistic effect between ND@G support and Ni3InC0.5 nanoparticles enable highly efficient C2H2 semi‐hydrogenation. ND@G support makes Ni more electron‐rich through strong metal‐support interactions, as a result of reducing the energy barrier of rate determining step and improving hydrogenation activity. Meanwhile, the crystal geometric structure of Ni3InC0.5 can effectively promote desorption of C2H4 and suppressed the reaction pathway of C2H4 over‐hydrogenation, thus improved the semi‐hydrogenation selectivity. This work provides insights into the design of anti‐perovskite type catalysts with engineered metal‐support interactions, offering potential applications in industrial catalysis.