Identification of stable and selective nickel alloy catalyst for acceptorless dehydrogenation of ethane

Abstract

Modifying the electronic density of states and the synergistic effect of the active centers by introducing a second metal present an efficient strategy to tune physi/chemi-sorption, probably lead to improving catalytic performances. Herein, bimetallic Ni₃Mo/Al₂O₃ catalyst was demonstrated and exhibited over 5 times more active than Pt/Al₂O₃ toward the ethane dehydrogenation (EDH) as well as 2–10 times activity enhancement compared with their monometallic Ni and Mo counterparts and other Ni-based bimetallic nanoparticles. Kinetic studies revealed that the activation energy over Ni₃Mo/Al₂O₃ (111 kJ mol^–1) was much lower than that of Ni (157 kJ mol^–1) and Mo (171 kJ·mol^–1). DFT calculations showed ethane was adsorbed on the Ni or Mo surface in a more parallel configuration, whereas over Ni₃Mo it adopted an inclined configuration. This change promoted ethane adsorption and pre-activation of the C–H bond, thereby benefiting the ethane dehydrogenation process on the Ni₃Mo surface.