Simulation of Surface Resonant X-ray Diffraction.

We present an ab initio numerical tool to simulate surface resonant X-ray diffraction experiments. The crystal truncation rods and the spectra around a given X-ray absorption edge are calculated at any position of the reciprocal space. Density functional theory is used to determine the resonant scattering factor of an atom within its local environment and to calculate the diffraction peak intensities for surfaces covered with a thin film or with one or several adsorbed layers.

Palladium Electrodeposition onto Pt(100): Two-Layer Underpotential Deposition.

Electrodeposition of the first Pd layers onto Pt(100) was investigated using cyclic voltammetry at a low scan rate (0.1 mV·s). Ultrathin films were characterized by cyclic voltammetry in 0.

Growth mechanisms of Pd nanofilms electrodeposited onto Au(111): an in situ grazing incidence X-ray diffraction study.

Electrochemical deposition of ultra-thin Pd films onto Au(111) single crystals in a solution containing chloride was studied with in situ surface X-ray diffraction measurements. We report a detailed description of the growth mode, as well as film morphology and lattice parameters as a function of thickness, from 2 up to 10 monolayers (ML) as equivalent thickness. An almost ideal layer-by-layer pseudomorphic growth is observed up to two deposited ML.

Reversibility of Pt-Skin and Pt-Skeleton Nanostructures in Acidic Media.

Following a well-defined series of acid and heat treatments on a benchmark Pt3Co/C sample, three different nanostructures of interest for the electrocatalysis of the oxygen reduction reaction were tailored. These nanostructures could be sorted into the "Pt-skin" structure, made of one pure Pt overlayer, and the "Pt-skeleton" structure, made of 2-3 Pt overlayers surrounding the Pt-Co alloy core. Using a unique combination of high-resolution aberration-corrected STEM-EELS, XRD, EXAFS, and XANES measurements, we provide atomically resolved pictures of these different nanostructures, including measurement of the Pt-shell thickness forming in acidic media and the resulting changes of the bulk and core chemical composition.

Evidence of the substrate effect in hydrogen electroinsertion into palladium atomic layers by means of in situ surface X-ray diffraction.

In this work, we report an in situ surface X-ray diffraction study of the hydrogen electroinsertion in a two-monolayer equivalent palladium electrodeposit on Pt(111). The role of chloride in the deposition solution in favoring layer-by-layer film growth is evidenced. Three Pd layers are necessary to describe the deposit structure correctly, but the third-layer occupancy is quite low, equal to about 0.

Electrochemical deposition of platinum nanoparticles on carbon: a study by standard and anomalous X-ray diffraction.

This paper is devoted to an alternative method to characterize platinum nanoparticles: X-ray powder diffraction with synchrotron radiation in classical and anomalous dispersion modes. We could straightforwardly determine the mean diameter and the surface concentration of carbon-supported platinum nanoparticles, even down to diameters of 2-3 nm and catalyst amounts of 0.03 mgcm(-2).