Ordered high coverage NO overlayers on Pd( 111)

CO and O overlayers on Pd nanocrystals supported on TiO2(110).

We have prepared a model catalytic system by depositing Pd onto a TiO2(110) surface held at approximately 720 K. Scanning tunneling microscopy (STM) reveals well-defined Pd nanocrystals consisting of (111) top facets with {111} and {100} side facets. The Pd nanocrystals go down to about 10 nm in width and 1.3 nm in height. Top facets can be imaged with atomic resolution, indicating the absence ...

Theoretical analysis of hydrogen chemisorption on Pd(111), Re(0001) and PdML/Re(0001), ReML/Pd(111) pseudomorphic overlayers

Local reactivity of thin Pd overlayers on Au single crystals

The local reactivity of thin pseudomorphic Pd overlayers on Au(111) and (100) single crystal surfaces has been studied by periodic density functional theory calculations within the generalized gradient approximation. We have determined the adsorption energies of atomic hydrogen and of CO as a microscopic probe of the reactivity. We demonstrate that both surface strain effects and substrate inte...

Unravelling the hydrogen absorption process in Pd overlayers on a Au(111) surface.

The hydrogen absorption into overlayers of Pd deposited on Au(111) has been investigated by density functional theory (DFT). Hydrogen concentrations, absorption environments, and geometrical and electronic effects have been analyzed, seeking for a better understanding of the general principles governing the process and the effect of foreign supports. The results show that the absorption is more...

Understanding the catalytic conversion of automobile exhaust emissions using model catalysts: CO+NO reaction on Pd(111)

The CO+NO reaction is one of the profoundly important reactions that take place on Pd-based industrial three-way catalysts (TWC). In this review, we discuss results from polarization modulation infrared reflection absorption spectroscopy (PM-IRAS) and conventional IRAS experiments on CO adsorption, NO adsorption and the CO+NO reaction on a Pd(111) model catalyst surface within a wide range of p...