Related papers: Ag-Cu alloy surfaces in an oxidizing environment: …
Although (103) is a stable nominal orientation for both silicon and germanium, experimental observations revealed that in the case of silicon this surface remains disordered on an atomic scale even after careful annealing. We report here a…
To understand surface structural modifications for Au/Si (100) system, a thin gold film of ~2.0 nm was deposited under ultra high vacuum (UHV) condition on reconstructed Si surfaces using molecular beam epitaxy (MBE). Post annealing was…
\theta' (Al2Cu) precipitates in Al-Cu-Ag alloys were examined using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). The precipitates nucleated on dislocation loops on which assemblies of {\gamma}'…
Using scanning tunneling microscopy together with the first-principles density functional theory calculations we study structural properties of the Si(111)5x2-Au surface covered by Ag adatoms. The STM topography data show that a…
Power semiconductor device architectures require the inclusion of a diffusion barrier to suppress, or at best prevent the interdiffusion between the copper metallisation interconnects and the surrounding silicon substructure. The binary…
Based on the experimental observation, that only the close vicinity of a magnetic impurity at metal surfaces determines its Kondo behaviour, we introduce a simple model which explains the Kondo temperatures observed for cobalt adatoms at…
Precipitation of the \gamma' (AlAg2) phase was investigated in Al-Ag(-Cu) alloys using high resolution transmission electron microscopy and scanning transmission electron microscopy. Precipitation commenced with segregation of silver to…
To understand the complex interplay of topography and surface chemistry in wetting, fundamental studies investigating both parameters are needed. Due to the sensitivity of wetting to miniscule changes in one of the parameters it is…
Cu$_2$Se is a mixed ionic-electronic conductor with outstanding thermoelectric performance originally envisioned for space missions. Applications were discontinued due to material instability, where elemental Cu grows at the electrode…
Iron oxides are fundamental components of planet-forming materials. Understanding the Fe-O system's behavior and properties under high pressure can help us identify many new phases and states possible in exoplanetary interiors, especially…
We investigate some surfaces of a paradigmatic sp bonded metal--namely, Al(110), Al(100), and Al(111)--by means of the "electron localization function" (ELF), implemented in a first-principle pseudopotential framework. ELF is a ground-state…
We have performed high resolution XPS experiments of the Ru(0001) surface, both clean and covered with well-defined amounts of oxygen up to 1 ML coverage. For the clean surface we detected two distinct components in the Ru 3d_{5/2} core…
The dynamics of the release of stored energy during annealing along two different crystallographic planes i.e.{111} and {220} in deformed copper have been investigated using in-situ X-ray diffraction measurements at 458K and 473K…
Electrochemical reduction is a promising way to make use of CO$_2$ as feedstock for generating renewable fuel and valuable chemicals. Several metals can be used in the electrocatalyst to generate CO and formic acid but hydrogen formation is…
Effects of steel alloying elements on the formation of the surface oxide layer of hot-dip galvanized press hardened steel after austenitization annealing were examined with various advanced microscopy and spectroscopy techniques. The main…
Hydrogen embrittlement remains a critical challenge in structural and electronic applications of copper (Cu) but its mechanism is still not fully understood. In this study, we combine density functional theory (DFT) and bond-order potential…
Metal oxyfluorides constitute a broad group of chemical compounds with rich spectrum of crystal structures and properties. Here we predict, based on evolutionary algorithm approach, the crystal structure and selected properties of…
We use \textit{ab initio} molecular dynamics simulations to investigate the properties of the dry surface of pure silica and sodium silicate glasses. The surface layers are defined based on the atomic distributions along the direction…
In this work we investigate the dissociation of CO$_2$ on Cu(110) by performing density functional theory calculations using the vdW-DF2 exchange-correlation functional, with a potential energy surface parameterized using artificial neural…
Low-temperature scanning tunneling spectroscopy of magnetic and non-magnetic metal atoms on Ag(111) and on Cu(111) surfaces reveals the existence of a common electronic resonance at an energy below the binding energies of the surface…