Related papers: Inevitable Si surface passivation prior to III-V/S…
Here, we quantitatively determine the impact of III-V/Si interface atomic configuration on the wetting properties of the system. Based on a description at the atomic scale using density functional theory, we first show that it is possible…
The structures and energetics of organic molecules adsorbed onto clean and H-passivated Si(001)-(2$\times$1) surfaces have been calculated using density functional theory. For benzene adsorbed on the clean Si surface the tight-bridge…
Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By…
Surface effects can significantly impact the performance of nanophotonic and quantum photonic devices, especially as the device dimensions are reduced. In this work, we propose and investigate a novel approach to surface passivation to…
Recent experiments by Kavousanakis et al., Langmuir, 2018 [1], showed that reversible electrowetting on superhydrophobic surfaces can be achieved by using a thick solid dielectric layer (e.g. tens of micrometers). It has also been shown,…
Using a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a dielectric environment, we present the first detailed study of the impact of a solvent on the surface chemistry of…
Si deposition on H terminated Si(100)-2x1 and 3x1 surfaces at temperatures 300-530 K is studied by scanning tunneling microscopy. Hydrogen apparently hinders Si adatom diffusion and enhances surface roughening. The post-growth annealing…
Using large scale molecular dynamics simulations, we study the thermal conductivity of bare and surface passivated silicon nanowires (SiNWs). For the cross-sectional widths $w \le 2$ nm, SiNWs become unstable because of the surface…
We have studied by means of Density-Functional calculations the wetting properties of Ar and Ne adsorbed on a plane whose adsorption properties simulate the Li and Na surfaces. We use reliable ab-initio potentials to model the gas-substrate…
We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…
The ability to control wettability is important for a wide range of technological applications in which precise microfluidic handling is required. It is known that predesigned roughness at a micro- or nano- scale enhances the wetting…
A continuous surface wetting transition, pinned to a solid/liquid/liquid/vapor tetra coexistence point, is studied by x-ray reflectivity in liquid Ga-Bi binary alloys. The short-range surface potential is determined from the measured…
Surface anti-reflectance and passivation properties of the Al2O3 films deposited on crystalline Si substrates by atomic layer deposition are investigated. Textured Si with 100 nm Al2O3 shows a very low average reflectance of ~2.8 %. Both…
Heterostructures combining diverse physico-chemical properties are increasingly in demand for a wide range of applications in modern science and technology. However, despite their importance in materials science, accurately determining…
We present an in-depth analysis of the atomic and electronic structure of the quasi one-dimensional (1D) surface reconstruction of Ga on Si(112) based on Scanning Tunneling Microscopy and Spectroscopy (STM and STS), Rutherford…
We provide a first-principles modeling of the beta-Ga2O3/3C-SiC interface that takes into account the reconstructions occurring at the 3C-SiC (001) surface by oxidation, aiming to mimic the actual deposition process under the best…
Self-assembled quantum dots based on III-V semiconductors have excellent properties for applications in quantum optics. However, the presence of a 2D wetting layer which forms during the Stranski-Krastanov growth of quantum dots can limit…
We propose a sharp-interface model for solid-state dewetting of thin films with wetting potential, where the wetting effect is incorporated through a thickness-dependent surface energy. The model is governed by surface diffusion together…
We discuss the effect of an external electric field on the wetting of a solid surface by liquid. To this end, we use a model of the two-level-atom fluid for which the changes in interatomic interactions due to the presence of the field can…
We argue that for complete wetting at a curved substrate (wall) the wall-fluid surface tension is non-analytic in $R_i^{-1}$, the curvature of the wall and that the density profile of the fluid near the wall acquires a contribution…