Related papers: Mechanically prepared copper surface in oxidizing …
Copper oxide II is a p-type semiconductor that can be used in several applications. Focusing on producing such material using an easy and low-cost technique, we followed an acetate one-pot-like route for producing a polymer precursor…
We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystalline structures of silica (SiO2), magnesia (MgO) and alumina…
Copper oxide thin films are deposited on quartz substrates by DC magnetron sputtering and the effect of deposition temperature on their optoelectronic properties is examined in detail. Scanning Electron Microscopy (SEM), X-ray diffraction…
We use a combination of density functional theory and Monte Carlo calculations to calculate the surface magnetization in magnetoelectric $\mathrm{Cr_2O_3}$ at finite temperatures. Such antiferromagnets, lacking both inversion and…
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…
The compression of a low-density copper foam was simulated with a radiation, hydrodynamics code. In one simulation, the foam had a density of $\rho_0 = 1.3407$ g/cm$^3$, 15% the density of copper at standard temperature and pressure, and…
The oxygenation process at constant temperature of YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) was systematically investigated in the temperature range from 300 $^o$C to 800 $^o$C. With this purpose, fully deoxygenated powder samples was exposed to…
The paper presents the results of investigation of the structure of porous condensates of Ag-NaCl and Cu-NaCl composition; chemical and phase compositions and dimensions of nanoparticles, produced from the vapour phase by EBPVD method.…
In recent years due to improvements in calculation methods and increased computer power, it has become possible to perform first-principles investigations for ``simple'' chemical reactions at surfaces. We have carried out such studies for…
Ti$_3$C$_2$T$_x$ is a leading compound within the MXenes family and can find host in widespread applications. It is synthesized by selectively etching layers from the Ti$_3$AlC$_2$ precursor, and this process typically introduces surface…
We investigate shock-compressed copper in the warm dense matter regime by means of density functional theory molecular dynamics simulations. We use neural-network-driven interatomic potentials to increase the size of the simulation box and…
The surfaces of perovskite oxides affect their functional properties, and while a bulk-truncated (1$\times$1) termination is generally assumed, its existence and stability is controversial. Here, such a surface is created by cleaving the…
A hot salt corrosion (HSC) test was performed on the fine-grained titanium alpha-alloy Ti-2.5Al-2.6Zr (Russian industrial alloy PT-7M). The ultrafine-grained (UFG) microstructure in the titanium alpha-alloy was formed via cold Rotary…
The ordered structure of binary alloy nanoparticles determines their magnetic and catalytic characteristics. In the alloys after annealing, one of the components preferentially segregates on the surface to reduce surface energy. This…
This study presented a novel method to prepare hexagonal iron flakes with hexagonal close-packed structures (hcp) on the copper oxide sublayers. Also, it demonstrated that the size and structure of iron grains are functions of sublayer…
Elaborating on previous theoretical treatments of the roughening transition, we provide the exact mapping of a surface model which undergoes both roughening and preroughening onto a mixture of unit and double charges living on the square…
Silver chromate ($\mathrm{Ag_{2}CrO_{4}}$) has attracted considerable attention in recent years due to its promising photocatalytic performance, which strongly depends on the crystallographic orientation of its exposed surfaces. A detailed…
Nanocrystalline Cu-3 at.% Zr powders with ~20 nm average grain size were created with mechanical alloying and their thermal stability was studied from 550-950 {\deg}C. Annealing drove Zr segregation to the grain boundaries, which led to the…
Co single atom junctions on copper surfaces are studied by scanning tunneling microscopy and ab-initio calculations. The Kondo temperature of single cobalt atoms on the Cu(111) surface has been measured at various tip-sample distances…
Surface roughness plays a critical role in ultrashort pulse laser ablation, particularly for industrial applications using burst mode operations, multi-pulse laser processing, and the generation of laser-induced periodic surface structures.…