Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111).

We unravel the origin of the recently observed striking enantioselectivity of the PdGa(l1l) surface with respect to the adsorption of a small organic molecule, 9- ethynylphenanthrene, using first-principles calculations. It turns out that the key ingredient to understand the experimental evidence is...

Descripción completa

Detalles Bibliográficos

Publicado en:	Journal of the American Chemical Society Vol. 140; no. 4; pp. 1401 - 1409
Autores principales:	Yakutovich, Aliaksandr V., Hoja, Johannes, Passerone, Daniele, Tkatchenko, Alexandre, Pignedoli, Carlo A.
Formato:	Artículo
Publicado:	American Chemical Society 1/31/2018
Materias:	Palladium Enantioselective catalysis Adsorption (Chemistry) Van der Waals forces Density functionals
Acceso en línea:	Ver este registro en EBSCOhost