Abstract: The electronic structure calculation for the nanoclusters of AsSiTeB/SiAsBTe quaternary semiconductor alloy belonging to the III-V Group elements was performed. Motivation for this research work was to look for accurate electronic and geometric data of small nanoclusters of AsSiTeB/SiAsBTe in the gaseous form. The two clusters, one in the linear form and the other in the bent form, were studied under the framework of Density Functional Theory (DFT) using the B3LYP functional and LANL2DZ basis set with the software packaged Gaussian 16. We have discussed the Optimized Energy, Frontier Orbital Energy Gap in terms of HOMO-LUMO, Dipole Moment, Ionization Potential, Electron Affinity, Binding Energy, Embedding Energy, Density of States (DoS) spectrum for both structures. The important findings of the predicted nanostructures are that these structures have wide band gap energy, where linear structure has band gap energy (Eg) value is 2.375 eV and bent structure (Eg) value is 2.778 eV. Therefore, these structures can be utilized as wide band gap semiconductors. These structures have high electron affinity value of 4.259 eV for the linear structure and electron affinity value of 3.387 eV for the bent structure form. It shows that electron acceptor capability is high for both forms. The widely known application of these compounds is in the light emitting diodes due to their wide band gap nature.
Abstract: This work reports on the fabrication of tin nanoclusters by sputtering and inert-gas condensation inside an ultra-high vacuum compatible system. This technique allows to fine tune the size and yield of nanoclusters by controlling the nanocluster source parameters. The produced nanoclusters are deposited on SiO2/Si substrate with pre-formed electrical electrodes to produce a nanocluster device. Those devices can be potentially used for gas sensor applications.
Abstract: The nickel and gold nanoclusters as supported
catalysts were analyzed by XAS, XRD and XPS in order to
determine their local, global and electronic structure. The present
study has pointed out a strong deformation of the local structure of
the metal, due to its interaction with oxide supports. The average
particle size, the mean squares of the microstrain, the particle size
distribution and microstrain functions of the supported Ni and Au
catalysts were determined by XRD method using Generalized Fermi
Function for the X-ray line profiles approximation. Based on EXAFS
analysis we consider that the local structure of the investigated
systems is strongly distorted concerning the atomic number pairs.
Metal-support interaction is confirmed by the shape changes of the
probability densities of electron transitions: Ni K edge (1s →
continuum and 2p), Au LIII-edge (2p3/2 → continuum, 6s, 6d5/2 and
6d3/2). XPS investigations confirm the metal-support interaction at
their interface.
Abstract: The effect of SnO2 surface modification by Ag nanoclusters, synthesized by SILD method, on the operating characteristics of thin film gas sensors was studied and models for the promotional role of Ag additives were discussed. It was found that mentioned above approach can be used for improvement both the sensitivity and the rate of response of the SnO2-based gas sensors to CO and H2. At the same time, the presence of the Ag clusters on the surface of SnO2 depressed the sensor response to ozone.
Abstract: Tungsten trioxide has been prepared by using P-PTA
as a precursor on alumina substrates by spin coating method.
Palladium introduced on WO3 film via electrolysis deposition by
using palladium chloride as catalytic precursor. The catalytic
precursor was introduced on the series of films with different
morphologies. X-ray diffractometry (XRD), Scanning electron
microscopy (SEM) and XPS were applied to analyze structure and
morphology of the fabricated thin films. Then we measured variation
of samples- electrical conductivity of pure and Pd added films in air
and diluted hydrogen. Addition of Pd resulted in a remarkable
improvement of the hydrogen sensing properties of WO3 by detection
of Hydrogen below 1% at room temperature. Also variation of the
electrical conductivity in the presence of diluted hydrogen revealed
that response of samples depends rather strongly on the palladium
configuration on the surface.