National Institute Of Materials Physics - Romania

Here a small interacting sample, coupled to several non-interacting leads is considered. Initially, the system is at thermal equilibrium. At some instant t(0) the system is set into the so-called partition-free transport scenario by turning on a bias on the leads. Using the theory of Volterra operators we rigorously formulate a Dyson equation for the retarded Green's function and we establish a closed formula for the associated proper interaction self-energy.

In this work, the effect of deposition time on the structural and optical properties of ZnO films deposited by Ultrasonic Spray Mist-CVD was studied aiming the application in perovskite solar cells, as holes blocking layer. Crystallinity, surface morphology and optical properties of the ZnO films were investigated by X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), conventional and Photoluminescence (PL) spectroscopies, respectively. The XRD measurement proves the existence of the hexagonal wurtzite phase and a high degree of crystallinity with [001] preferential orientation. The SEM study shows that the films possess a compact structure. Smooth and homogenous surface was confirmed also by AFM. The obtained results indicate that ZnO films deposited by a simple, safe and cost-effective method present a great potential for application in perovskite solar cells.

This paper presents the synthesis, physico-chemical and biological properties of four new coordination compounds with mixed ligands: acrylate ion (acr) and benzimidazole/benzimidazole derivatives with the general formula [Co(L)(2)(acr)(2)]center dot nH(2)O [(1) L: benzimidazole (HBzIm), n: 0.5; (2) L: 2-methylbenzimidazole (2-MeBzIm), n: 0.5; (3) L: 5-methylbenzimidazole (5-MeBzIm), n: 0; (4) L: 5,6-dimethylbenzimidazole (5,6-Me(2)BzIm), n: 0]. Their chemical formulae were achieved correlating the chemical analysis with mass spectrometry data, the ligands coordination modes were assigned by Fourier transform-infrared measurements, and the trigonal bipyramidal geometry of cobalt ion in complexes was assigned by data correlation of UV-Vis-NIR spectra and magnetic moments measurements. Single-crystal X-ray diffraction reveals a mononuclear structure with a pentacoordinated cobalt (II) ion, connected to two acrylato coordinated in different modes and two unidentate 5,6-dimethylbenzimidazole ligands for compound (4). The biological tests were performed against several microbial strains, the cytotoxicity was evaluated on HCT8 cellular lines and the cell cycle analysis was performed on HT29 cellular lines. Microbiological assays indicated that Co (II) complexes present a very good to good activity against Candida albicans 1760, Enterococcus faecium E5, Bacillus subtilis ATCC 6683 and Escherichia coli ATCC 25922. Predictive pharmacokinetic (ADME), toxicity and drug-likeness profiles were evaluated for Co (II) complexes. Our results highlight that Co (II) complexes depicted in the present study are suitable to be used as efficient pharmacological agents.

Nano-size and shape of fluorescent silver nanostructures are important for a wide range of bio-applications, especially as drug delivery systems, imaging and sensing. The aim of the work is to develop a fluorescent silver nano-structured system, synthesized by chemical reduction of aqueous AgNO3 solution by Tryptophan using Dextran 70 as stabilizing agent (SNPs(FL)). The formed fluorescent nano-system was analyzed by UV-Vis absorption, DLS, SEM, TEM, AFM, steady-state and time resolved fluorescence spectroscopy. TEM analysis showed multi-twined nanoparticle, with the size within 15-40 nm. SNPs(FL) shows the fluorescence emission at 346 nm, the fluorescence quantum yield, phi = 0.034 and the integrated fluorescence lifetime, = 1.82 ns. Riboflavin fluorescence behaviour in the RF/SNPs(FL) system, has been also studied. The results have relevance in using SNPs(FL) as a potential marker/emissive system to solve various biological barriers in humans, like drug release and protein structure.

Multi-layered structures, composed of thin films from materials with different compositions or physical properties, represents a way to obtain enhanced properties or even new functionalities. In this work, lead zirconate titanate PbZrxTi1-xO3 (PZT; x = 0.20, 0.52, 0.80) multilayers were grown by pulsed laser deposition (PLD) on a single crystal strontium titanate (SrTiO3, STO) substrate, using a strontium ruthenate (SrRuO3, SRO) film as buffer layer for epitaxial growth, and also as back electrode. Up and down multi-layers were grown and their physical and structural properties were compared, up being the structure in which Zr concentration was varied from 20% near the STO substrate to 80% at the surface, while down is for the structure in which the Zr concentration starts with 80% near the substrate and ends with 20% at the surface. It was found that the electric and pyroelectric properties of the two graded structures are significantly different. The up structure presents electric properties that are comparable with those of single composition PZT films while the properties of the down structure are deteriorated, especially in terms of the leakage current magnitude. Pyroelectric signal could be measured only for the up structure. These differences were attributed to larger density of structural defects in the down structure compared to the up one. This is due to the different growth sequence: Lop structure starts with tetragonal PZT on cubic substrate (lower lattice mismatch, 1.1%) while down structure starts with rhombohedral PZT on cubic substrate (larger lattice mismatch, almost 5%).

The paper deals with a study of composites based on poly(p-phenylenevinylene) (PPV) and reduced graphene oxide (RGO) in terms of photoconductivity and photocurrent (PC) dynamics in charge-discharge cyclic processes. The explanation for the photoconductive behavior is built with the support of DeVore and Onsager theories. Scanning samples in both directions involves charge transport, to and from, available energy states called defect centers. The existence of these centers is confirmed by a decrease in the composite bandgap caused by the RGO localized states which are situated slightly above the first HOMO level in the PPV bandgap. The contribution of RGO to the photoconductive properties of PPV is revealed through a photocurrent value with two orders of magnitude higher than for PPV.

The influence of the Gd3+ co-dopant on the structure, morphology and up-conversion luminescence/magnetic properties of the LiYF4:Gd3+/Yb3+/Er3+ nanocrystals was investigated and compared to those of Gd-free samples. Electron microscopy has indicated an inhibiting effect of the agglomeration and collapsing process of the nanocrystals compared to the Gd-free powder samples. The surface analysis of nanocrystals have not shown oxygen-metal bonds related to the metal oxidation within the surface nanometric layer. The paramagnetic properties are related to the magnetic moment of the Gd3+ ions. The up-conversion luminescence of the LiYF4:Gd3+/Yb3+/Er3+ nanocrystals is about six times stronger than in LiYF4:Yb3+/Er3+ nanocrystals; the enhancement effect is most probably due to the lattice distortion induced by the Gd co-doping.

Up-conversion luminescence and thermoluminescence properties of LaF3 nanocrystals, with sizes of about 20 nm, were studied and discussed in relation to -size and surface related effects. XPS spectra have evidenced the presence of oxidized Er and La ions within a thin layer (of about 1 nm thickness) at the nanocrystals surface, as well as Yb ions bonded with fluorine ions. The green ((H-2(11/2), S-4(3/2)) -> I-4(15/2)) and red (F-4(9/2) -> I-4(15/2)) up-conversion emissions of Er3+ ions are influenced by the relative dominance of Erions that reside within the thin oxidized layer. The broad thermoluminescence curves are assigned to the recombination of trap defects associated with surface states and within the oxidized surface layer. (C) 2019 Elsevier B.V. All rights reserved.

A critical discussion on the presently available models for the relaxation time of magnetic nanoparticles approaching the superparamagnetic regime in the presence of interparticle dipolar interactions is considered. The direct implications of such interactions for magnetic fluid hyperthermia therapy through susceptibility loss mechanisms give rise to an indirect method for their study via specific absorption rate measurements performed on ferrofluids of different volume fractions. The theoretical support for the specific evolution of the relaxation time constant and the anisotropy energy barrier versus the interparticle interactions in a perturbation approach of the simple Neel expression for the relaxation time is provided via static and time-dependent micromagnetic simulations.