Reference-free evaluation of thin films mass thickness and composition through energy dispersive x-ray spectroscopy

In this paper we report the development of a new method for the evaluation of thin films mass thickness and composition based on the Energy Dispersive X-Ray Spectroscopy (EDS). The method exploits the theoretical calculation of the in-depth characteristic X-ray generation distribution function, $\phi$/($\rho$ z), in multilayer samples, obtained by the numerical solution of the electron transport equation, to achieve reliable measurements without the need of a reference sample and multiple voltages acquisitions. The electron transport model is derived from the Boltzmann transport equation and it exploits the most updated and reliable physical parameters in order to obtain an accurate description of the phenomenon. The method for the calculation of film mass thickness and composition is validated with benchmarks from standard techniques. In addition, a model uncertainty and sensitivity analysis is carried out and it indicates that the mass thickness accuracy is in the order of 10 $\mu$g/cm$^2$, which is comparable to the nuclear standard techniques resolution. We show the technique peculiarities in one example measurement: two-dimensional mass thickness and composition profiles are obtained for a ultra-low density, high roughness, nanostructured film.Comment: This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (ENSURE grant agreement No. 647554

The role of oxygen vacancies on the structure and the density of states of iron doped zirconia

In this paper we study, both with theoretical and experimental approach, the effect of iron doping in zirconia. Combining density functional theory (DFT) simulations with the experimental characterization of thin films, we show that iron is in the Fe3+ oxidation state and accordingly that the films are rich in oxygen vacancies (VO). VO favor the formation of the tetragonal phase in doped zirconia (ZrO2:Fe) and affect the density of state at the Fermi level as well as the local magnetization of Fe atoms. We also show that the Fe(2p) and Fe(3p) energy levels can be used as a marker for the presence of vacancies in the doped system. In particular the computed position of the Fe(3p) peak is strongly sensitive to the VO to Fe atoms ratio. A comparison of the theoretical and experimental Fe(3p) peak position suggests that in our films this ratio is close to 0.5. Besides the interest in the material by itself, ZrO2:Fe constitutes a test case for the application of DFT on transition metals embedded in oxides. In ZrO2:Fe the inclusion of the Hubbard U correction significantly changes the electronic properties of the system. However the inclusion of this correction, at least for the value U = 3.3 eV chosen in the present work, worsen the agreement with the measured photo-emission valence band spectra.Comment: 24 pages, 8 figure

Dynamic Behaviour of "Collapsible" Concrete

In this work a particular cement composite material for protection of structures and infrastructures against accidental actions, such as blast or impact, has been investigated. An experimental procedure has been developed in order to assess static and dynamic behaviour of energy absorbing cementitious composites. The granular cementitious composite has been studied focusing attention to compressive strength, high deformation and energy dissipation capacity which are important characteristics for an absorber material. An experimental characterization of the material behaviour under compressive static and dynamic loadings has been carried out. Different deformation velocities have been studied in order to define the material behaviour in a wide range of strain rates. The velocity range up to 0.1 m/s is investigated by means of a universal servo-hydraulic MTS 50 kN testing machine. Some preliminary results have been reported and discussed in the present work.JRC.G.4-European laboratory for structural assessmen

Exploiting magnetic properties of Fe doping in zirconia

In this study we explore, both from theoretical and experimental side, the effect of Fe doping in ZrO2 (ZrO2:Fe). By means of first principles simulation we study the magnetization density and the magnetic interaction between Fe atoms. We also consider how this is affected by the presence of oxygen vacancies and compare our findings with models based on impurity band and carrier mediated magnetic interaction. Experimentally thin films (~ 20 nm) of ZrO2:Fe at high doping concentration are grown by atomic layer deposition. We provide experimental evidence that Fe is uniformly distributed in the ZrO2 by transmission electron microscopy and energy dispersive X-ray mapping, while X-ray diffraction evidences the presence of the fluorite crystal structure. Alternating gradient force magnetometer measurements show magnetic signal at room temperature, however with low magnetic moment per atom. Results from experimental measures and theoretical simulations are compared.Comment: 8 pages, 9 figures. JEMS 201

Effects of inorganic seed promoters on MoS2 few-layers grown via chemical vapor deposition

In the last years, transition metal dichalcogenides (TMDs), especially at the two-dimensional (2D) limit, gained a large interest due to their unique optical and electronic properties. Among them, MoS2 received great attention from the scientific community due to its versatility, workability, and applicability in a large number of fields such as electronics, optoelectronics and electrocatalysis. To open the possibility of 2D-MoS2 exploitation, its synthesis over large macroscopic areas using cost-effective methods is fundamental. In this study, we report a method for the synthesis of large-area (~ cm2) few-layers MoS2 via liquid precursor CVD (L-CVD), where the Mo precursor (i.e. ammonium heptamolybdate AHM) is provided via a solution that is spin-coated over the substrate. Given the capability of organic and inorganic molecules, such as alkaline salts, to enhance MoS2 growth, we investigated the action of different inorganic salts as seed promoters. In particular, by using visible Raman spectroscopy, we focused on the effect of Na(OH), KCl, KI, and Li(OH) on the thickness, morphology, uniformity and degree of coverage of the grown MoS2. We optimized the process tuning parameters such as the volume of spin-coated solution, the growth temperature, and the seed promoter concentration, to synthesise the lowest possible thickness which resulted to be 2 layers (2L) of the highest quality. We witnessed that the addition of an inorganic seed promoter in the solution improves the extension of the grown MoS2 promoting lateral growth front, and therefore the degree of coverage. From this study, we conclude that, amongst the investigated seed promoters, K-based salts proved to grant the growth of high-quality two-layer MoS2 with optimal and uniform coverage of the SiO2/Si substrate surface

Lightweight concrete containing phase change materials (PCMs): A numerical investigation on the thermal behaviour of cladding panels

open4siThe use of phase change materials (PCMs) in building elements has gained increasing popularity in recent years because of the potential energy savings that result from the heat stored during variable temperature–time histories. This paper describes the results of non-linear numerical analyses on sandwich panels characterized by different geometry and consisting of an innovative concrete, i.e., lightweight concrete with aggregates containing PCMs. The amount of embedded PCMs has no equal in the literature, and this calls for a detailed assessment of its thermal performance within a typical building element. The heat transfer process inside the panels is modelled via finite elements in order to evaluate the effectiveness of the addition of PCMs with regard to insulation. The results show that adding PCMs may significantly reduce (by up to 20%) the energy required for cooling in the hot season, while the reduction of the energy required for heating in the cold season is lower (up to 10%). Moreover, there is a significant reduction in the instantaneous power required, both for heating and cooling.openP. Bamonte, A. Caverzan, N. Kalaba, M. Lamperti TornaghiBamonte, P.; Caverzan, A.; Kalaba, N.; Lamperti Tornaghi, M

High‐Density Sb2Te3 Nanopillars Arrays by Templated, Bottom‐Up MOCVD Growth

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Broadband and Tunable Light Harvesting in Nanorippled MoS2 Ultrathin Films

Nanofabrication of flat optic silica gratings conformally layered with two-dimensional (2D) MoS2 is demonstrated over large area (cm2), achieving a strong amplification of the photon absorption in the active 2D layer. The anisotropic subwavelength silica gratings induce a highly ordered periodic modulation of the MoS2 layer, promoting the excitation of Guided Mode Anomalies (GMA) at the interfaces of the 2D layer. We show the capability to achieve a broadband tuning of these lattice modes from the visible (VIS) to the near-infrared (NIR) by simply tailoring the illumination conditions and/or the period of the lattice. Remarkably, we demonstrate the possibility to strongly confine resonant and nonresonant light into the 2D MoS2 layers via GMA excitation, leading to a strong absorption enhancement as high as 240% relative to a flat continuous MoS2 film. Due to their broadband and tunable photon harvesting capabilities, these large area 2D MoS2 metastructures represent an ideal scalable platform for new generation devices in nanophotonics, photo- detection and -conversion, and quantum technologies