相关论文: Ag-Cu alloy surfaces in an oxidizing environment: …
Although silver-based telescope mirrors excel over other materials such as gold and aluminum in the visible-infrared spectral range, they require robust protective coatings to overcome their inherent low durability. Our research shows that…
Adsorption of submonolayer amounts of Ag on vicinal Cu(111) induces periodic faceting. The equilibrium structure is characterized by Ag-covered facets that alternate with clean Cu stripes. In the atomic scale, the driving force is the…
The early stage of the chromium precipitation in copper was analyzed at the atomic scale by Atom Probe Tomography (APT). Quantitative data about the precipitate size, 3D shape, density, composition and volume fraction were obtained in a…
The classic metallurgical systems -- noble metal alloys -- that have formed the benchmark for various alloy theories, are revisited. First-principles fully relaxed general potential LAPW total energies of a few ordered structures are used…
We have studied the influence of alloying copper with amorphous arsenic sulfide on the electronic properties of this material. In our computer-generated models, copper is found in two-fold near-linear and four-fold square-planar…
In this study, a preparation route of Co-Cu alloys with soft magnetic properties by high-pressure torsion deformation is introduced. Nanocrystalline, supersaturated single-phase microstructures are obtained after deformation of Co-Cu…
It is a general challenge to design highly active or selective earth-abundant metals for catalytic hydrogenation. Here, we demonstrated an effective computational approach based on inverse molecular design theory to deterministically search…
Silver (Ag) coatings have been widely used in many industry areas due to their excellent conductivity. However, wider applications of Ag coatings have been hindered by their poor mechanical properties. In this research, to improve the…
Differential thermal analysis has been conducted for the Al-Cu-Co alloys with the composition range of 15 at.% Co and 10 to 30 at.% Cu, and 25 at.% Co and 2.5 to 20 at.% Co. The features of the formation of solid phases have been studied…
In this work, we report the growth of a single mixed Bi$_{1-x}$Sb$_x$ layer, with diverse stoichiometries, on a Ag(111) substrate. The atomic geometry has been thoroughly investigated by low energy electron diffraction, scanning tunneling…
Due to the rapid growth in the demand for high-energy-density Li batteries and insufficient global Li reserves, the anode-free Li metal batteries are receiving increasing attention. Various strategies, such as surface modification and…
Clean Si(111)-(7{x7) surfaces, followed by air-exposure, have been investigated by reflection high energy electron diffraction (RHEED) and scanning tunneling microscopy (STM). Fourier transforms (FTs) of STM images show the presence of…
Copper(II) silver(II) sulfate crystallizes in a monoclinic CuSO4-related structure with P21/n symmetry. This quasi-ternary compound features [Ag(SO4)2]2- layers, while the remaining cationic sites may be occupied either completely or…
Precious metal alloys enables new possibilities to tailor materials for specific optical functions. Here we present a systematic study of the effects of a nanoscale alloying on the permittivity of Au-Ag-Cu metals at 38 different atomic…
Several static and dynamic properties of liquid Cu, Ag and Au at thermodynamic states near their respective melting points, have been evaluated by means of the orbital free ab-initio molecular dynamics simulation method. The calculated…
Surface diffusion on metal oxides is key in many areas of materials technology, yet it has been scarcely explored at the atomic scale. This work provides phenomenological insights from scanning tunneling microscopy on the link between…
Surface corrugation functions, derived from elastic helium atom scattering (HAS) diffraction patterns at different temperatures, reveal that the Cu2+ rows in the (001) surface of LiCu2O2 undergo an outward displacement of about 0.15 {\AA}…
We report static and dynamic first-principles calculations that provide atomistic pictures of the initial stage of the oxidation processes occurring at the ($11\bar20$) surface of 4H-SiC. Our results unveil reaction pathways and their…
Understanding the chemical stability of Gas Electron Multipliers (GEMs) operated in CO$_2$-based mixtures is essential for improving detector longevity and reliability. In this work, we investigate the interaction between CO$_2$ molecules…
We have calculated the adsorption energy of carbon monoxide on a monolayer of copper adsorbed on the (111) face of cubic zirconia. We investigate the structural parameters of three phases of bulk zirconia (cubic, tetragonal, and monoclinic)…