[Zurück]

P. Ryan, M. Meier, Z. Jakub, J. Balajka, J. Hulva, D. Payne, T. Lee, C. Franchini, F. Allegretti, G. Parkinson, D. Duncan:
"Probing structural changes upon carbon monoxide coordination to single metal adatoms";
Journal of Chemical Physics, 152 (2020), S. 0511021 - 0511025.

In this work, the adsorption height of Ag adatoms on the Fe3O4(001) surface after exposure to CO was determined using normal incidence x-ray standing waves. The Ag adatoms bound to CO (AgCO1) are found to be pulled out of the surface to an adsorption height of 1.15 ű0.08 Å,compared to the previously measured height of 0.96 ű0.03 Å for bare Ag adatoms and clusters. Utilizing DFT+vdW+U calculations withthe substrate unit cell dimension fixed to the experimental value, the predicted adsorption height for AgCO1was 1.16 Å, in remarkably goodagreement with the experimental results.

http://dx.doi.org/10.1063/1.5137904