Related papers: Oxygen enhanced atomic chain formation
Three driving forces control the energy level alignment between transition-metal oxides and organic materials: the chemical interaction between the two materials, the organic electronegativity and the possible space charge layer formed in…
We report here an atomistic study of the mechanical deformation of AuxCu(1-x) atomic-size wires (NWs) by means of high resolution transmission electron microscopy (HRTEM) experiments. Molecular dynamics simulations were also carried out in…
Effects of strong longitudinal color electric fields (SCF) on the open charm production in nucleus-nucleus (A + A) collisions at 200A GeV are investigated within the framework of the HIJING-BBbar v2.0 model. A three fold increase of the…
First-principles calculations show that monatomic strings of carbon have high cohesive energy and axial strength, and exhibit stability even at high temperatures. Due to their flexibility and reactivity, carbon chains are suitable for…
If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…
Linear chains of about 10-13 carbon atoms were predicted to be the most favorable phase on different metal surfaces prior to graphene nucleation. However, unlike the graphene that widely studied both theoretically and experimentally, carbon…
We report that due to the orbital Hall effect, orbital pumping effects can occur in materials with weak spin-orbit coupling. Moreover, there is a positive correlation between the strength of the orbital Hall effect and the size of…
Spectra of extranuclear clouds within the ionization cone of Circinus galaxy are presented and modelled assuming photoionization by the Seyfert 2 nucleus but no preconceived assumption concerning the spectral shape of the ionizing AGN…
Thin films of transition metal oxides open up a gateway to nanoscale electronic devices beyond silicon characterized by novel electronic functionalities. While such films are commonly prepared in an oxygen atmosphere, they are typically…
Understanding the formation of metal-molecule contact at the microscopic level is the key towards controlling and manipulating atomic scale devices. Employing two isomers of bipyridine, $4, 4^\prime$ bipyridine and $2, 2^\prime$ bipyridine…
Surface electronic properties of undoped hydrogen terminated diamond covered with adsorbates or in electrolyte solutions are summarized. The formation of a conductive layer at the surface of diamond is discussed based on Hall effect,…
We studied monoatomic linear carbon chains stabilised by gold nanoparticles attached to their ends and deposited on a solid substrate. We observe spectral features of straight chains containing from 8 to 24 atoms. Low temperature PL spectra…
Possibility for the formation of stable Al atomic wire on the Si(211) surface is investigated using density functional theory based total energy calculations. The stable adsorption sites and the surface structures at various sub-monolayer…
We present a theoretical study of the impact of oxygen diffusion in oxide crystals on metal dopants ionic state and the conduction type under dynamic changes. The slow changes under thermal equilibrium are provided in a companion, Part I…
Oxygen adsorption onto Ru (10 bar 1 0) results in the formation of two ordered overlayers, i.e. a c(2 times 4)-2O and a (2 times 1)pg-2O phase, which were analyzed by low-energy electron diffraction (LEED) and density functional theory…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
Enhancement of the chemical activity of graphene is evidenced by first-principles modelling of chemisorption of the hydrogen, fluorine, oxygen and hydroxyl groups on strained graphene. For the case of negative strain or compression,…
The electronic and transport properties of atomic-size contacts are analyzed theoretically using a self-consistent tight-binding model. Our results show that, for s-like metals, a sufficiently narrow contact exhibits well defined resonant…
We use optical integral-field spectroscopic (IFS) data from 103 nearby galaxies at different stages of the merging event, from close pairs to merger remnants provided by the CALIFA survey, to study the impact of the interaction in the…
Metal-oxygen complexes containing Cu,- Tl-, Hg-, Bi- and Pb-cations are electronically active in superconducting copper-oxides by stabilizing single phases with enhanced $T_c$, whereas other metal-oxygen complexes deteriorate copper-oxide…