Related papers: Metal - TiO2 contacts: An electrical characterizat…
Electronic structure across the metal-insulator (MI) transition of electron-doped V1-xWxO2 epitaxial films (x = 0-0.06) grown on alfa-Al2O3 substrates was studied by means of thermopower (S) measurements. Significant increase of |S|-values…
In this paper for the first time we report the results of molecular dynamics simulation of electrode/electrolyte interface of Li-O2 cathode under potential close to experimental values in 1M dimethyl sulfoxide (DMSO) solution of LiPF6 salt.…
Searching for natural materials exhibiting larger electron-electron interactions constitutes a traditional approach to high temperature superconductivity research. Very recently we pointed out that the newly developed field of…
$V_2O_3$ has long been studied as a prototypical strongly correlated material. The difficulty in obtaining clean, well ordered surfaces, however, hindered the use of surface sensitive techniques to study its electronic structure. Here we…
Silicon has long been synonymous with semiconductor technology. This unique role is due largely to the remarkable properties of the Si-SiO_2 interface, especially the (001)-oriented interface used in most devices. Although Si is crystalline…
Metallic delafossites (ABO2) are layered oxides with quasi-two dimensional conduction layers. Metallic delafossites are among the most conducting materials with the in-plane conductivity comparable with that of elemental metals. In this…
In this paper, density functional theory calculations are used to explore the electronic and atomic reconstruction at interfaces between III-III/I-V oxides. In particular, at these interfaces, two dimensional electron gases (2DEGs) with…
From lithium-ion batteries to high-temperature superconductors, oxide materials have been widely used in electronic devices. However, demands of future technologies require materials beyond oxides, as anion chemistries distinct from oxygen…
We present a computational study of the electronic properties of amorphous SiO2. The ionic configurations used are the ones generated by an earlier molecular dynamics simulations in which the system was cooled with different cooling rates…
Recent experimental results demonstrate that in thin films ferroelectricity persists down to film thickness of a few unit cells. This finding opens an avenue for novel electronic devices based on ultathin ferroelectrics, but also raises…
The properties of dielectric and piezoelectric oxides are determined by their processing history, crystal structure, chemical composition, microstructure, dopants (or defect) distribution, and defect kinetics. These materials are essential…
The electronic structure of CrO_2 is critically discussed in terms of the relation of existing experimental data and well converged LSDA and GGA calculations of the electronic structure and transport properties of this half metal magnet,…
The demonstration of a quasi-two-dimensional electron gas (2DEG) and superconducting properties in LaAlO$_3$/SrTiO$_3$ heterostructures has stimulated intense research activity in recent ten years. The 2DEG has unique properties that are…
A detailed reexamination of the (110) surface structure of rutile TiO2 has been carried out using first-principles total-energy methods. This investigation is in response to a recent high-precision LEED-IV measurement revealing certain…
In terms of mixing graded TiO2 and SnO2 powders by solid-state reaction method, ITO was prepared. Using electron beam gun technology, ITO films with different thicknesses were prepared. The influence of film thickness on structure,…
A novel design has been proposed for a facile and rapid build-up of highly tailorable nanostructured multishells on metal oxide particles (graphene/TiOx@TiO2) under a dry inert atmosphere to maximize the visible-light photocatalytic…
Thermal transport properties at the metal/MoS2 interfaces are analyzed by using an atomistic phonon transport model based on the Landauer formalism and first-principles calculations. The considered structures include chemisorbed…
Half-Heusler alloys such as the (Zr,Hf)NiSn intermetallic compounds are important thermoelectric materials for converting waste heat into electricity. Reduced electrical resistivity at the hot interface between the half-Heusler material and…
Recently, perovskite related BaPbO$_3$ has attracted attention due to its hidden topological properties and, moreover, has been used as a thin layer in heterostructures to induce two-dimensional superconductivity. Here we investigate the…
Semiconducting transition metal dichalcogenides (TMDCs) present new possibilities for designing novel electronic devices. An efficient contacting scheme is required to take advantage of exceptional opto-electronic properties of TMDCs in…