相关论文: Oxygen enhanced atomic chain formation
We examine the conductance properties of a chain of Na atoms between two metallic leads in the limit of low bias. Resonant states corresponding to the conductance channel and the local charge neutrality condition cause conductance…
Molecule-electrode contact atomic structures are a critical factor that characterizes molecular devices, but their precise understanding and control still remain elusive. Based on combined first-principles calculations and single-molecule…
Ab initio calculations show that the conductance of short monatomic carbon chain can be dramatically modified by adhering a single H, N, or O atom to the chain. For example, the conductance of the pristine chain gets about two orders of…
The process of creating an atomically defined and robust metallic tip is described and quantified using measurements of contact conductance between gold electrodes and numerical simulations. Our experiments show how the same conductance…
We summarize our recent results that model the formation of uniform spherical silver colloids prepared by mixing iso-ascorbic acid and silver-amine complex solutions in the absence of dispersants. We found that the experimental results can…
We investigate the evolution of nuclear gas-phase oxygen abundance and star formation rate (SFR) of local far-infrared selected star-forming galaxies along the merger sequence, as traced by their optical morphologies. The sample was drawn…
Recent exam of large samples of omega Cen giants shows that it shares with mono-metallic globular clusters the presence of the sodium versus oxygen anticorrelation, within each subset of stars with iron content in the range…
When an ionic liquid adsorbs onto a porous electrode, its ionic arrangement is deeply modified due to a screening of the Coulombic interactions by the metallic surface and by the confinement imposed upon it by the electrode's morphology. In…
Realistic oxide materials are often semiconductors, in particular at elevated temperatures, and their surfaces contain undercoordiated atoms at structural defects such as steps and corners. Using hybrid density-functional theory and ab…
We have theoretically investigated the electronic and magnetic properties of graphene whose zigzag edges are oxidized. The alteration of these properties by adsorption of $\mathrm{H_{2}O}$ and $\mathrm{NH_3}$ molecules have been considered.…
Kinetics of molecular oxygen / Au (001) surface interaction has been studied at high temperature and near atmospheric pressures of O2 gas with in situ x-ray scattering measurements. We find that the hexagonal reconstruction (hex) of Au…
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…
A simple model of the molecular crystal of $N$ atoms as a statistical mixture in real space of $NX$ atoms in excited and $N(1-X)$ atoms in well localized ground state is considered. The phase coherence of the atomic wave functions is…
A number of transition metal hydrides with close-packed metal sublattices of fcc or hcp structures with hydrogen in octahedral interstitial positions were obtained by the high-pressure hydrogen technique described by Ponyatovskii et al,…
Oxygen, invariably present in a normal working environment, is a fundamental cause of the degradation of phosphorene. Using first-principles calculations, we show that for each oxygen atom adsorbed onto phosphorene there is an energy…
Based on first-principles calculations we revealed fundamental properties of infinite and finite size monatomic chains of carbon atoms in equilibrium and under an applied strain. Distributions of bond lengths and magnetic moments at atomic…
We report on the formation of oriented gold nano structures on Si(100) substrate by annealing procedures in low vacuum (\approx10-2 mbar) and at high temperature (\approx 975^{\circ} C). Various thicknesses of gold films have been deposited…
Tiny-sized particles under the scheme of monolayer assembly, comprising gold atoms, developed at a different processing time in a pulse-based process. For a different processing time, atoms bind into different tiny particles under the…
We followed the evolution of the normal and superconducting properties of Al thin films after each session of various successive oxygen irradiations at ambient temperature. Such irradiated films, similar to the granular ones, exhibit…
Here we develop a class off face centred cubic structure of metallic silver nanocrystals, to enable high ORR activity process. Silver nanoparticles deposited within different carbon supports: carboxylated-graphene, SiO2-doted reduced-…