Chemical Bonding in the Catalytic Platform Material Ga1-xSnxPd2

Chemical Bonding in the Catalytic Platform Material Ga_1-xSn_xPd₂

A. Ormeci, E. Gaudry, M. Armbrüster, Yu. Grin, Chem. Open 11, 2022, e202200185.

Ga_1-xSn_xPd₂ is a platform material in the semi-hydrogenation of acetylene. Its catalytic activity is analyzed from the point of view of chemical bonding. Pronounced charge transfer from the p elements to palladium results in the formation of the negatively charged catalytic centers. Combination of all features of the chemical bonding and electronic structure yield the peak of catalytic activity at x ≈ 0.25.

https://doi.org/10.1002/open.202200185