Experimental and DFT insights into phase-dependent performance of NiIn1-xSnx (x=0.5 and 0.8) intermetallic catalysts for acetylene hydrogenation

Intermetallic catalysts offer a unique platform for the hydrogenation reaction of acetylene, as their well-defined crystal structures and precise stoichiometry enable atomic-level control over active-site composition, geometry, and electronic structure. In ternary intermetallics, the addition of a third element in varying amounts can alter the crystal structure, thereby changing the stable crystal facet(s) and, consequently, the active-site electronic structure, demonstrating an intriguing strat