Related papers: Two-dimensional manganese oxide nanolayers on Pd(1…
Atom controlled sub-nanometer MoS$_2$ pores have been recently fabricated. Oxidative environments are of particular interest for MoS$_2$ applications in electronics, sensing and energy storage. In this work we carried out first-principles…
A Monte-carlo (MC) simulation procedure has been developed where the pair bond energies are allowed to take into account the various coordination numbers of surface atoms and the presence of adsorbates. The pair bond energies are calculated…
The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…
The growth and electrical characterization of a heterojunction formed between 2D layered p-MoS2 and nitrogen-doped 4H-SiC is reported. Direct growth of p-type MoS2 films on SiC was demonstrated using chemical vapor deposition, and the MoS2…
Two-dimensional metal-organic porous networks (2D-MOPNs) have been identified as versatile nanoarchitectures to tailor surface electronic and magnetic properties on noble metals. In this context, we propose a protocol to redecorate a…
A two-dimensional layer of oxide reveals itself as a essential element to drive the photocatalytic activity in a nanostructured hybrid material, which combines high-quality epitaxial graphene and titanium dioxide nanoparticles. In…
The magnetic properties of single-domain nanoparticles with different geometric shapes, crystalline anisotropies and lattice structures are investigated. A recently proposed scaling approach is shown to be universal and in agreement with…
The novel strain-driven morphotropic phase boundary (MPB) in highly-strained BiFeO3 thin film is featured by ordered mixed phase nanodomains (MPNs). Through scanning probe microscopy and synchrotron X-ray diffraction, eight structural…
Ni2MnGa(100) surface has been investigated in the premartensite and martensite phase by using scanning tunneling microscopy. The presence of twined morphology is observed in the premartensite phase for Mn excess surface which exhibit…
The pressure-induced metallic states of light elements attract significant attention, because of potential applications as high-temperature superconductor and high-energy-density material, especially for hydrogen and nitrogen1-10. Several…
Isolated oxygen impurities and fully oxidized structures of four stable two-dimensional (2D) SiS structures are investigated by {\em ab initio} density functional calculations. Binding energies of oxygen impurities for all the four 2D SiS…
We report the formation of Mn-rich regions at the interface of Co2FexMn1-xSi thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum…
Two-dimensional (2D) ferromagnetic materials have been exhibiting promising potential in applications, such as spintronics devices. To grow epitaxial magnetic films on silicon substrate, in the single-layer limit, is practically important…
The possible importance of oxide formation for the catalytic activity of transition metals in heterogenous oxidation catalysis has evoked a lively discussion over the recent years. On the more noble transition metals (like Pd, Pt or Ag) the…
It has recently been shown that submonolayer Pd on W(110) forms highly-ordered linear mesoscopic stripes at high temperatures. The stripes display an internal Pd superstructure with a nano-scale periodicity along the direction perpendicular…
Structural analysis of a layered manganese tungstate diaminoalkane hybrid series suggests that this compound forms a spin-5/2 spin-ladder structure. We use X-ray diffraction, electron microscopy and x-ray absorption spectroscopy results to…
Molecular beam epitaxy technique has been used to deposit a single layer and a bilayer of MoSe 2 on sapphire. Extensive characterizations including in-situ and ex-situ measurements show that the layered MoSe 2 grows in a scalable manner on…
We present an experimental investigation of a new polymorphic 2D single layer of phosphorus on Ag(111). The atomically-resolved scanning tunneling microscopy (STM) images show a new 2D material composed of freely-floating phosphorus…
We report on a computational study of the clean and oxygen-covered Rh(110) surface, based on density-functional theory within the local-density approximation. We have used plane-wave basis sets and Vanderbilt ultra-soft pseudopotentials.…
We present a High-Pressure X-ray Photoelectron Spectroscopy (HP-XPS) and first-principles kinetic Monte Carlo study addressing the nature of the active surface in CO oxidation over Pd(100). Simultaneously measuring the chemical composition…