CO Oxidation on Pd(111): A First-Principles-Based Kinetic Monte Carlo Study

Recent experiments by Nakai et al. (J. Chem. Phys. 2006, 124, 224712) show that CO oxidation on O-precovered Pd(111) surfaces exhibits remarkably different reactivity at different temperatures, which correlates with structural changes in the atomic O overlayer. While the p(2 × 2) ordered phase is inert, the (v3 × v3) and p(2 × 1) phases that form at 320 and 190 K, respectively, display different apparent activation energies and reaction orders with respect to O coverage. Using kinetic Monte Carlo (kMC) simulations with activation energies and prefactors determined via density functional theory, we modeled this catalytic system to understand the origin of the changes in reactivity.

Looking Inside the Perchlorinated Trityl Radical/Metal Spinterface through Spectroscopy

Persistent and stable organic molecules with an open-shell electronic configuration have long been known and extensively studied mainly in solution. Only recent is instead the study of organic radicals as laterally self-assembled monolayers immobilized on substrates towards their application in devices, e.g. in organic spintronics [1].


Nanoregion networks several nanotechnology laboratories in an area that includes the Veneto, Friuli Venezia Giulia, and some regions of Slovenia and Croatia, with the aim of making nanotechnologies available to macro-region companies.

Trapping of charged gold adatoms by dimethyl sulfoxide on a gold surface

The (111) face of gold, for its inertness and stability, is the most popular substrate adopted to support the growth of 2D supramolecular architectures. Despite being inert (“noble”) in its bulk form, gold exhibits rich catalytic properties and ligand chemistry when in the form of small clusters composed by tens of atoms down to single atom. In this work, we show that a simple polar molecule, dimethyl sulfoxide (DMSO, (CH3)2S), can trap the natively single gold adatoms available on the Au(111) surface, thus providing a new insight into the interaction of DMSO (and solvents in general) with gold and suggesting a novel motif for anchoring organic adlayers of polar molecules on metal substrates.