Related papers: Ag induced zero- and one-dimensional nanostructure…
We report the Nucleated Atomistic Grain Growth Simulator (NAGGS) as a new tool to model the growth of realistic nanosized dust grains through the progressive accretion of monomers onto a nucleated seed. NAGGS can be used with open source…
Recently, geometry-induced quantum effects in periodic Si nanostructures were introduced and observed. Nanograting has been shown to originate geometry induced doping or G-doping. G-doping is based on reduction of density of quantum states…
Surfaces of homoepitaxially grown TiO2-terminated SrTiO3(001) were studied in situ with scanning tunneling microscopy and spectroscopy. By controlling the Ti/Sr ratio, two-dimensional domains of highly ordered linear nanostructures,…
Surface chemistry is important across diverse fields such as corrosion and nanostructure synthesis. Unfortunately, many as-synthesized nanomaterials, including partially dealloyed nanoparticle catalysts for fuel cells, with highly active…
Silicon is one of the most promising anode materials for Lithium-ion batteries. Silicon endures volume changes upon cycling, which leads to subsequent pulverization and capacity fading. These drawbacks lead to a poor lifespan and hamper the…
Static calculation and preliminary kinetic Monte Carlo simulation studies are undertaken for the nucleation and growth on a model system which follows a Frank-van der Merwe mechanism. In the present case, we consider the deposition of Ag on…
We investigate the growth kinetics on vicinal GaAs(001) surfaces by making detailed comparisons between reflection high--energy electron--diffraction specular intensity measured near in--phase diffraction conditions and the surface step…
The intriguing properties, especially Dirac physics in graphene, have inspired the pursuit of two-dimensional materials in honeycomb structure. Here we achieved a monolayer transition metal monochalcogenide AgTe on Ag(111) by tellurization…
Single atom metallic wires of arbitrary length are of immense technological and scientific interest. We describe a novel silicon-only template enabling the self-organised growth of isolated micrometer long surface and subsurface single-atom…
With the aim of investigating the possible integration of opto-electronic devices, epitaxial GaN layers have been grown on Si(111) SOI and on Si/CoSi2/Si(111) using metalorganic chemical vapor deposition. The samples are found to possess a…
A study of previously overlooked structural and optical properties of InGaAs heterostructures grown on (111)B oriented GaAs substrates patterned with inverted 7.5 um pitch pyramidal recesses is presented. First, the composition of the…
The 7x7 reconstruction of Si(111) surface is widely understood by the dimer-adatom-stacking-fault model (DAS), but the predicted metallicity of DAS contradicts experimental signs of insulation. It is still challenge to predict DAS-like…
Several methods are constructed for large-scale electronic structure calculations. Test calculations are carried out with up to 10^7 atoms. As an application, cleavage process of silicon is investigated by molecular dynamics simulation with…
The deposition of one silicon monolayer on the silver (111) substrate in the temperature range 150-300$^\circ$C, gives rise to a mix of (4$\times$4), ($2\sqrt{3}\times 2\sqrt{3}$)R30$^\circ$ and ($\sqrt{13}\times\sqrt{13}$)R13.9$^\circ$…
Si/Ge heteroepitaxial dots under tensile strain are grown on nanostructured Ge substrates produced by high-temperature flash heating exploiting the spontaneous faceting of the Ge(001) surface close to the onset of surface melting. A very…
The self-assembled monolayers of alkane thiolates on Ag (111) surfaces and nanoparticles are studied using molecular dynamics. Reactive force fields allow simulations of very large systems such as nanoparticles of 10 nm. Stable (sqrt(7) X…
The evolution of surface morphology during the growth of N-polar (000-1) GaN under N-rich condition is studied by kinetic Monte Carlo (kMC) simulations for two substrates miscuts 2deg and 4deg. The results are compared with experimentally…
We report on the self-organized growth of a regular array of Fe nanoclusters on a nanopatterned magnetite surface. Under oxidizing preparation conditions the (111) surface of magnetite exhibits a regular superstructure with three-fold…
In this work, we present conception and study of gallium nitride (GaN) nanostructures on a gallium arsenide (GaAs) substrate with (111)A orientation. The nanostructures were designed by GaN droplet epitaxy and studied in-situ by X-ray…
Atomic and electronic structures of a polar surface of MgO formed on Ag(111) was investigated by using reflection high energy electron diffraction (RHEED), Auger electron spectroscopy, electron energy loss spectroscopy (EELS), and…