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Although silver-based telescope mirrors excel over other materials such as gold and aluminum in the visible-infrared spectral range, they require robust protective coatings to overcome their inherent low durability. Our research shows that…
Methods of optical dynamic nuclear polarization (DNP) open the door to the replenishable hyperpolarization of nuclear spins, boosting their NMR/MRI signature by orders of magnitude. Nanodiamond powder rich in negatively charged Nitrogen…
Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms remain however to be unravelled. Crystal nucleation, the early…
The simulations of field-evaporation processes for silicon atoms on various Si(001) surfaces are implemented using the first-principles calculations based on the real-space finite-difference method. We find that the atoms which locate on…
Laser ablation of Al-Ni alloys and Al films on Ni substrates has been studied by molecular dynamics simulations (MD). The MD method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons…
Freestanding oxide films offer significant potential for integrating exotic quantum functionalities with semiconductor technologies. However, their performance is critically limited by surface roughness and interfacial imperfection caused…
The oxidation of {\alpha}-Ti(0001) surface was studied using density functional theory. In order to enhance the oxidation resistance, we substituted Ti atoms with Si atoms in Ti(0001) surface. We observe that Si prefers to segregate at the…
The dynamics of solid-liquid interfaces controlled by solute precipitation and/or dissolution due to the chemical reaction at the interface were computed in two dimensions using a phase field models. Sharp-interface asymptotic analysis…
Atomic layer deposition (ALD) provides uniform and conformal thin films that are of interest for a range of applications. To better understand the properties of amorphous ALD films, we need improved understanding of their local atomic…
Acid mine drainage (AMD) is the outflow of acidic water from metal mines or coal mines. When exposed to air and water, metal sulfides from the deposits of the mines are oxidized and produce acid, metal ions and sulfate, which lower the pH…
Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-body methods should be offering deep insights into these…
It has been conjectured that roughness plays a role in surface nucleation, the tendency for freezing to begin preferentially at the liquid-gas interface. Using high speed imaging, we sought evidence for freezing at the contact line on…
This work presents an ab initio exploration of fundamental mechanisms with direct relevance to dendrite formation at lithium-electrolyte interfaces. Specifically, we explore surface diffusion barriers and solvated surface energies of…
We have investigated the plasmonic enhancement of the radiation field at various nanostructured multilayer devices, that may be applied in surface enhanced Raman spectroscopy. We apply an image dipole method to describe the effect of…
We present the first study of light induced atom desorption (LIAD) of an alkali atom (Rb) in porous alumina. We observe the variation due to LIAD of the rubidium density in a vapor cell as a function of illumination time, intensity and…
The structure of the Al_{70}Pd_{21}Mn_{9} surface has been investigated using high resolution scanning tunnelling microscopy (STM). From two large five-fold terraces on the surface in a short decorated Fibonacci sequence, atomically…
Nucleation phenomena commonly observed in our every day life are of fundamental, technological and societal importance in many areas, but some of their most intimate mechanisms remain however to be unraveled. Crystal nucleation, the early…
In the recent years graphitization of ion-beam induced amorphous layers became the basic tool for device fabrication in diamond. The etchable graphitic layers can be removed to form free-standing membranes into which the desired structures…
Liquid structure at solid-liquid interfaces is critical for many natural and engineered processes ranging from biological signal transduction to electrochemical energy conversion. Advanced experimental and computational methods have…
We systematically investigated various types of surfaces on which rubidium (Rb) atoms were deposited by X-ray photoelectron spectroscopy (XPS) and measured the light-induced atom desorption (LIAD) from those surfaces. The main surfaces of…