Related papers: Two-dimensional manganese oxide nanolayers on Pd(1…
Manganese silicide (MnxSiy) thin films with Mn content (CMn) varied from 24 at. % to 52 at. % were grown on i-GaAs (100) substrates. Chemical, phase composition and room temperature magnetic properties of the films were investigated. It was…
We find that several layer-phase group-III monochalcogenides, including GaS, GaSe and InSe, are piezoelectric in the monolayer form. First-principles calculations reveal that the piezoelectric coefficients of monolayer GaS, GaSe and InSe…
Precise tunability of electronic properties of 2D nanomaterials is a key goal of current research in this field of materials science. Chemical modification of layered transition metal dichalcogenides leads to the creation of…
We present a density-functional theory study addressing the on-surface adsorption of oxygen at the Pd(11N) (N =3,5,7) vicinal surfaces, which exhibit (111) steps and (100) terraces of increasing width. We find the binding to be…
Heating a long-range ordered adsorbate phase beyond its stability temperature does not necessarily result in a disordered phase, it can also break up into heavily fluctuating ordered domains. Temporal and/or spatial averaging over these…
There are strong evidences that the melting in two dimensions depends crucially on the form and range of the interaction potentials between particles. We study with Monte Carlo simulations the phase diagram and the melting of a monolayer of…
The structure property of non-ideal Si/GaAs heterostructures that were integrated with the ultra-thin oxide (UO) tunneling interfacial layer has been systematically investigated. Si nanomembranes (NMs) were oxidized in different time…
Oxygen vacancies in nickelates are known to introduce a variety of emergent phenomena and are considered to significantly affect conductivity. Few studies have examined real-space evidence for oxygen vacancies on the surface, particularly…
Two-dimensional (2D) transition metal carbides and nitrides, known as MXenes, possess unique physical and chemical properties, enabling diverse applications in fields ranging from energy storage to communication, catalysis, sensing,…
Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate…
Two-dimensional transition metal dichalcogenides (TMDs) are highly appealing for gas sensors, lab-on-a-chip devices and bio-sensing applications because of their strong light-matter interaction and high surface-to-volume ratio. The ability…
The combination of two-dimensional (2D) materials into vertical heterostructures has emerged as a promising path to designer quantum materials with exotic properties. Here, we extend this concept from inorganic 2D materials to 2D…
Manganese dissolution during the oxygen evolution reaction (OER) has been a persistent challenge that impedes the practical implementation of Mn-based electrocatalysts including the LiMn$_x$O$_4$ system in aqueous alkaline electrolyte. The…
The oxidized Ag(111) surface has been studied by a combination of experimental and theoretical methods, scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). A large variety of…
The puzzle of 3D magnetic interactions in the structurally 2D layered oxide Na$_{x}$CoO$_2$ is addressed using first principles calculations and analysis of the exchange mechanisms. The calculations agree with recent neutron results,…
The dissociative adsorption of methane on variously oxidized Pd, Pt and Pd-Pt surfaces is investigated using density-functional theory, as a step towards understanding the combustion of methane on these materials. For Pd-Pt alloys, models…
Cerium-doped manganite thin films were grown epitaxially by pulsed laser deposition at $720 ^\circ$C and oxygen pressure $p_{O_2}=1-25 $Pa and were subjected to different annealing steps. According to x-ray diffraction (XRD) data, the…
Here we describe the results of an atomic resolution study of the structure and composition of both the interior of the grains, and the grain boundaries in polycrystalline MgB2. We find that there is no oxygen within the bulk of the grains…
Many unusual behaviors in complex oxides are deeply associated with the spontaneous emergence of microscopic phase separation. Depending on the underlying mechanism, the competing phases can form ordered or random patterns at vastly…
A detailed nanoscale structural characterization was performed on high-quality La0.66Sr0.33MnO3 (LSMO) thin films of different thicknesses and deposited by pulsed laser deposition onto buffered Si (100) substrates. A multilayered structure…