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Single spins in solid-state systems are often considered prime candidates for the storage of quantum information, and their interaction with the environment the main limiting factor for the realization of such schemes. The lifetime of an excited spin state ...
We recently proposed a structural model for the Si!331"-!12!1" surface reconstruction containing silicon pentamers and adatoms as elementary structural building blocks. Using first-principles density functional theory we here investigate the stability of a ...
We study the relaxations, surface energies, and work functions of low-index metallic surfaces using pseudopotential plane-wave density-functional calculations within the generalized gradient approximation. We study here the (100), (110), and (111) surfaces ...
Magnetic impurities in solids cause manifold changes in their macroscopic properties, such as anomalous low temperature resistance due to Kondo screening, reduction of the superconducting transition temperature due to local suppression of the order paramet ...
This thesis aims to find, for the first time, a direct relation between the size and morphology of small metallic nanostructures (gold in this case) supported on a metal-oxide surface to their catalytic activity. In this perspective, three main topics have ...
Gold nanoparticles with a diameter comprised between 4 and 6 nm are stabilized in nanosized pits of well defined depth in highly oriented pyrolytic graphite (HOPG). These pits are produced by creation of artificial defects, followed by etching under a cont ...
Structural and electronic properties of the lambda-MnO2(001) surface are investigated applying density functional theory approach. The calculations show that all Mn ions at unreconstructed smooth surface preserve the +4 oxidation state observed in the bulk ...
We report exptl. results concerning the STM imaging of cis-bis (isothiocyanate)-bis-(2,2'-bipyridyl-4,4'dicarboxylate)ruthenium(II)bis(tetrabutylammonium) dye (known as N719) adsorbed on a single crystal of anatase TiO2(100). The cleaning pretreatment, by ...
The morphology, stability and reactivity of nanometre-sized particles (Au, Pt) is investigated on three different supports. Gold nanoparticles with a diameter comprised between 4 and 6nm are stabilized in nanosized pits of well defined depth in highly orie ...
We performed a combined theoretical and experimental investigation of the orbital magnetism and magnetocrystalline anisotropy of isolated Co and Fe adatoms on Pd(111) and Rh(111). Theoretical calculations of the spin and orbital moments are based on ab ini ...
