CO Chemisorption at Metal Surfaces and Overlayers

CO chemisorption at metal surfaces and overlayers.

Adsorbate-adsorbate interactions and chemisorption at different coverages studied by accurate ab initio calculations: CO on transition metal surfaces.

We use density functional theory (DFT) with the generalized gradient approximation (GGA) and our first-principles extrapolation method for accurate chemisorption energies (Mason et al. Phys. Rev. B 2004, 69, 161401R) to calculate the chemisorption energy for CO on a variety of transition metal surfaces for various adsorbate densities and patterns. We identify adsorbate through-space repulsion, ...

An AES, LEED, and CO chemisorption study of copper overlayers on Rh(100)

A model bimetalhc system ~/~(~~) has been prepared by the thermal ~a~~at~o~ of copper onto a ~{~~) surface and studied by Auger ehztron spectroscopy, low-energy electron diffraction, and CO chemisorption. At 115 K, the copper overlayer growth follows a layer-by-layer mechanism at least to the third layer. The first monolayer grows pseudorno~~~~~ with respect to the ~1~) substrate whiIe the seco...

Chemisorption on a FCC Metal Surface: Electronic Structure of Ordered Overlayers

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

CO chemisorption on the surfaces of the golden cages.

We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au(17)(-) cage is highly robust and retains its cage structure in Au(17)(CO)(-). On the other hand, the Au(16)(-) cage is transformed to a structure similar to Au(17)(-) upon the adsorption of CO. Au(18)(-) is known to consist of two nearly degenerate structures, i.e., a cage and a pyr...