Screening and Mechanism Exploration of Non-Noble Metal Ni₃M Catalysts for Propane Dehydrogenation: The Excellence of Synergistic Effects

The development of cost-effective and anti-coking catalysts for propane dehydrogenation (PDH) is crucial. Here, non-noble metal-incorporated Ni-based catalysts (Ni3M, M = Sc, Ti, V, Mn, Fe, Co, Cu, Zn, Ga, Zr, Nb, Mo, In, Sn) were employed in the PDH process. The introduction of V, Nb, and Mo, with their strong carbon binding ability, created unique Ni-M cooperative sites, enhancing the catalytic performance. Other non-noble metals influenced the electronic structure of Ni, affecting the overall catalytic behavior. V and Nb exhibited a balanced combination of activity, selectivity, and stability, making them potential catalyst candidates. Microkinetic simulations revealed that Ni3V and Ni3Nb displayed high selectivity toward olefins with low apparent activation energies. This study emphasizes the significance of bimetallic synergy in enhancing PDH performance and provides new directions for the development of efficient alkane dehydrogenation catalyst development.