Growth and characteristics of ZnO nano-aggregates electrodeposited onto p-Si(1 1 1)

In this paper we study nanocrystalline zinc oxide thin films produced by oxidation of electrodeposited zinc nanolayers on a monocrystalline p-Si(1 1 1) substrate. The electrolyte used is ZnCl2, an aqueous solution of 4 × 10−2 mol/l concentration. Several deposits were made for various current densities, ranging from 13 mA/cm2 to 44 mA/cm2, flowing through the solution at room temperature. A parametric study enabled us to assess the effect of the current density on nucleation potential and time as well as zinc films structure. The grazing incidence X-ray diffraction (GIXD) revealed that both Zn and ZnO films are polycrystalline and nanometric. After 1-h oxidation of zinc films at 450 °C in the open air, the structural analyses showed that the obtained ZnO films remained polycrystalline with an average crystal size of about 47 nm and with (1 0 0), (0 0 2) and (1 0 1) as preferential crystallographic orientations

Normalized differential conductance to study current conduction mechanisms in MOS structures

In this paper, the conduction mechanisms in MOS structures are investigated using Normalized Differential Conductance (NDC). It is shown that NDC can be applied successfully for the determination of conduction mechanism parameters in MOS devices. The method allows the separation of various components of conduction current and determines the permissible voltage ranges for the determination of the conduction mechanism parameters through the device. The procedure is illustrated by applying it to simulated and experimental current-voltage (I-V) characteristics. The limitations of such parameters extraction are also investigated. A qualitative favorable comparison between experimental data and simulated results is also obtained

Interaction of a novel inorganic nickel complex with tyrosinase as potential inhibitor: Synthesis, spectroscopic, DFT, NBO, docking and ADMET properties

The obtained Ni(II) complex has been synthesized and characterized by elemental analysis (EA), spectroscopic studies such as FT-IR, UV-Vis. and MS. Also, thermal analysis (TG and DTG) analysis, X-ray powder diffractometry (PXRD) and morphological (SEM/EDXS) measurements were as well performed. By using cyclic voltammetry (CV), the redox properties of Ni(L) complex was found to be a quasi-reversible Ni(II)/Ni(I) redox system. The structure of Ni(L) complex was investigated by utilizing density functional theory (DFT) calculations with the Becke 3-Lee-Yang-Parr (B3LYP) method employing the LANL2DZ basis set. Frontier molecular orbitals (FMOs), important parameters of reactivity, Mulliken charge and Natural bond orbitals (NBOs) computational studies on Ni(L) complex were carried out in the ground state using DFT theory at B3LYP/ LANL2DZ level. This complex was found to exhibit, in vitro, a strong tyrosinase inhibitory activity with an IC value of 5.7 μM approximately 6.5-fold better than kojic acid as positive control IC = 37.86 µM). The binding energy of the best pose, in silico, is – 8.7 kcal/mol. Thus, these results showed a good agreement with the experimental data obtained from the enzyme-inhibiting assay.The authors thank the Algerian Ministry of Higher Education and Scientific Research (MESRS) and the General Directorate for Scientific Research and Technological Development (DGRSDT) for the financial support