Search results for "substrate"
showing 10 items of 1018 documents
Chemisorption of a molecular oxygen on the UN(001) surface: Ab initio calculations
2010
The results of DFT GGA calculations on oxygen molecules adsorbed upon the (0 0 1) surface of uranium mononitride (UN) are presented and discussed. We demonstrate that O2 molecules oriented parallel to the substrate can dissociate either (i) spontaneously when the molecular center lies above the surface hollow site or atop N ion, (ii) with the activation barrier when a molecule sits atop the surface U ion. This explains fast UN oxidation in air.
Multiscale modelling of structure formation of C$_{60}$ on insulating CaF$_2$ substrates
2021
Morphologies of adsorbed molecular films are of interest in a wide range of applications. To study the epitaxial growth of these systems in computer simulations requires access to long time and length scales, and one typically resorts to kinetic Monte Carlo (KMC) simulations. However, KMC simulations require as input transition rates and their dependence on external parameters (such as temperature). Experimental data allow only limited and indirect access to these rates, and models are often oversimplified. Here, we follow a bottom-up approach and aim at systematically constructing all relevant rates for an example system that has shown interesting properties in experiments, buckminsterfull…
Direct atomic layer deposition of ultrathin aluminium oxide on monolayer $MoS_2$ exfoliated on gold: the role of the substrate
2021
In this paper we demonstrated the thermal Atomic Layer Deposition (ALD) growth at 250 {\deg}C of highly homogeneous and ultra-thin ($\approx$ 3.6 nm) $Al_2O_3$ films with excellent insulating properties directly onto a monolayer (1L) $MoS_2$ membrane exfoliated on gold. Differently than in the case of 1L $MoS_2$ supported by a common insulating substrate ($Al_2O_3/Si$), a better nucleation process of the high-k film was observed on the 1L $MoS_2/Au$ system since the ALD early stages. Atomic force microscopy analyses showed a $\approx 50\%$ $Al_2O_3$ surface coverage just after 10 ALD cycles, its increasing up to $>90\%$ (after 40 cycles), and an uniform $\approx$ 3.6 nm film, after 80 cycle…
Photoelectron spectroscopy of thin discontinuous metal films deposited onto a sapphire substrate
1995
Abstract The charging of small metallic clusters forming discontinuous gold and gallium films, condensed in vacuum onto an insulating substrate (sapphire), was experimentally studied by the method of ultraviolet photoelectron spectroscopy (UPS) for a photon energy of 5.4 eV. It seems that the charging is due to electron emission as well as to electron transfer from metal islands to the empty electron states in the metal-insulator interface.
Ab initio calculations of PbTiO 3 /SrTiO 3 (001) heterostructures
2016
We performed ab initio calculations for the PbTiO3/SrTiO3 (001) heterostructures. For both PbO and TiO2-terminations of the PbTiO3 (001) thin film, augmented on the SrTiO3 (001) substrate, the magnitudes of atomic relaxations Δz increases as a function of the number of augmented monolayers. For both terminations of the augmented PbTiO3 (001) nanothin film, all upper, third and fifth monolayers are displaced inwards (Δz is negative), whereas all second, fourth and sixth monolayers are displaced outwards (Δz is positive). The B3PW calculated PbTiO3/SrTiO3 (001) heterostructure band gaps, independently from the number of augmented layers, are always smaller than the PbTiO3 and SrTiO3 bulk band…
Competition between submonolayer ordering and multilayer adsorption: Studies of simple lattice gas models
1986
Abstract We model condensation of adatoms at a substrate surface by a semi-infinite simple cubic lattice gas system. While in the bulk there is just a nearest-neighbour attractive interaction, in the first layer adjacent to the surface we allow for a periodic potential due to the substrate with a period of two lattice spacings, or for a next-nearest-neighbour repulsive interaction mediated by the substrate. Hence order-disorder phenomena may occur in the first layer, while only gas-liquid condensation transitions can occur in layers further away from the substrate surface. The ground-state phase diagrams of this model are obtained exactly, while the behaviour at nonzero temperatures is obta…
Long-chain fatty acyl-CoA esters induce lipase activation in the absence of a water-lipid interface.
2003
In most lipases a mobile element or lid domain covers the catalytic site of the enzyme and the lid opening event, which usually proceed at a lipid-water interface, is required to form the catalytically competent lipase. We report here a noticeable increase in activity of two fungal lipases assayed in aqueous solution in absence of any interface when adding submicellar concentrations of amphipathic physiological molecules like long-chain acyl-CoAs. The catalytic activity was dramatically dependent on the acyl chain length of the amphiphile and could be related with a lid-opening process. Our data support that lipase activation can be triggered in the absence of a well-defined interface, and …
Graphene p-Type Doping and Stability by Thermal Treatments in Molecular Oxygen Controlled Atmosphere
2015
Doping and stability of monolayer low defect content graphene transferred on a silicon dioxide substrate on silicon are investigated by micro-Raman spectroscopy and atomic force microscopy (AFM) during thermal treatments in oxygen and vacuum controlled atmosphere. The exposure to molecular oxygen induces graphene changes as evidenced by a blue-shift of the G and 2D Raman bands, together with the decrease of I2D/IG intensity ratio, which are consistent with a high p-type doping (∼1013 cm-2) of graphene. The successive thermal treatment in vacuum does not affect the induced doping showing this latter stability. By investigating the temperature range 140-350 °C and the process time evolution, …
Coupling evanescently low loss Silicon-on-insulator ridge waveguides including high Q nanocavities for light control
2011
Summary form only given. In this work, we propose an innovative way to achieve an air-slotted nanocavities by coupling evanescently low loss Silicon-on-insulator (SOI) ridge waveguides(WGs) including high Q nanocavities exhibiting an ultrasmall modal volume V. We first show that coupling two WGs allows us to achieve a field confinement within the air slot as low as lambda/30 while preserving a high group index of the guided modes. Then we demonstrate that merging such coupled WGs with state-of-the-art high-Q/small V nanocavities is a robust way to achieve a single compact (1 µm × 3 µm) air-slotted resonator on substrate. Finally, we extend the concept to multiple air-slotted resonator syste…
Female–female attraction influences nest establishment in the digger wasp Stizus continuus (Hymenoptera: Crabronidae)
2008
Although digger wasps are good models for the study of nest site selection, the behaviour of females in relation to time of nest establishment has rarely been considered despite this being the key to discrimination between substrate availability-based and a female attraction-based selection. We carried out a study on nest establishment by the digger wasp Stizus continuus (Klug), giving to all nests dug by the wasps both spatial (nearest neighbour distance to nests, proximity of vegetation, soil hardness) and temporal (day of excavation) attributes. Stizus continuus females dug more nests under bush edges, where the soil was much softer. There was no tendency for females to maximize distance…