Thermal Behavior of Composite Material Based on Phase Change Material/Plaster as Thermal Energy Storage in Multilayer Wall: Experimental Study.

This study aims to explore the effects of augmenting the mass proportion of a composite comprising paraffin and beeswax (PBPCM) within plaster, which influences the thermal insulation of a dual wall. This work is primarily based on the thermal properties of the composite material PBPCM/plaster with varying percentages of PBPCM. Various essential parameters, such as density, thermal conductivity, specific heat capacity, thermal diffusivity, and latent heat, were assessed and juxtaposed with those of conventional plaster for the PBPCM/plaster composite material. The evaluation of this composite material was executed through an experimental device on a laboratory scale. The obtained results show that the increase in the mass fraction of PBPCM in the plaster decreased the thermal conductivity of plaster more than 3 times, whereas this increase of the PBPCM fraction in plaster enhances heat retention, specifically in specific heat capacity under constant conditions. Nevertheless, in a dynamic state, thermal effusivity has the lowest value for 50% PBPCM. The recommendation is to utilize 50% PBPCM, as it yields an optimal thermal effusivity, and significant values of specific heat capacity and latent heat have been noted for this percentage of PBPCM, measuring 1263.77 kJ/kg K and 18.9 kJ, respectively. Additionally, an increase in the PBPCM percentage narrows the temperature range suitable for effective thermal energy storage.

Experimental and numerical study of temperature evolution and hydrogen desorption process on an amorphous alloy Mg50Ni50.

In the present study, we explored the temperature evolution and hydrogen desorption properties of the Mg50Ni50 alloy through both numerical simulation and experimental analyses. Desorption kinetics characterization was carried out using the volumetric method, specifically employing a Sievert's-type apparatus to investigate solid-gas reactions. The experiments covered a temperature range from 313 K to 353 K, with an initial hydrogen pressure of 12 bar. Simultaneously, a mathematical approach was employed to numerically investigate the temperature evolution within the hydride bed. Using COMSOL Multiphysics as a simulator, a numerical simulation was conducted based on experimental data. The study examined the impact of cooling temperature on hydride temperature evolution. Results revealed that hydrogen desorption kinetics of the amorphous Mg50Ni50 alloy are more significant compared to those of Mg2Ni compounds. Moreover, the effect of the warming temperature on the equilibrium pressure can also be observed in the hydrogen desorption isotherm curves. The experimental study of the Mg50Ni50 alloy provided activation energy data, along with determination of hydride formation enthalpy and entropy. On the other hand, we showed that the hydride temperature is maximum at the hydride-hydrogen interface within the hydride center.

Experimental and Theoretical Studies of Hydrogen Storage in LaNi4.4Al0.3Fe0.3 Hydride Bed.

In this article, the experimental measurements of the absorption/desorption P-C-T isotherms of hydrogen in the LaNi4.4Fe0.3Al0.3 alloy at different temperatures and constant hydrogen pressure have been studied using a numerical model. The mathematics equations of this model contain parameters, such as the two terms, nα and nß, representing the numbers of hydrogen atoms per site; Nmα and Nmß are the receptor sites' densities, and the energetic parameters are Pα and Pß. All these parameters are derived by numerically adjusting the experimental data. The profiles of these parameters during the absorption/desorption process are studied as a function of temperature. Thereafter, we examined the evolution of the internal energy versus temperature, which typically ranges between 138 and 181 kJmol-1 for the absorption process and between 140 and 179 kJmol-1 for the desorption process. The evolution of thermodynamic functions with pressure, for example, entropy, Gibbs free energy (G), and internal energy, are determined from the experimental data of the hydrogen absorption and desorption isotherms of the LaNi4.4Al0.3Fe0.3 alloy.

Experimental study of the microstructures and hydrogen storage properties of the LaNi4Mn0·5Co0.5 alloys.

In the present study, the absorption and desorption kinetics of hydrogen and the isotherm (P-C-T)) of the LaNi4Mn0·5Co0.5 alloy were measured at values of 283 K, 303 K, and 313 K. The morphological states of this sample were examined using characterization techniques, including X-ray diffraction and scanning electron microscopy. The thermodynamic functions for the absorption-desorption of hydrogen by hydrides, such as enthalpy (H) and entropy (S), were calculated from the experimental data or by using a model that exists in the literature and is premised on the adjustment of isotherm curves at various temperatures. This model is based on an integrated form of the Van't Hoff equation and a simultaneous examination of the isotherms. According to the experimental results, the amount of hydrogen absorbed or desorbed by the sample is significantly affected by the partial substitution of the nickel atom by the elements Mn and Co. However, this substitution increased the absorption or de-sorption plateau pressure.

Bi and Sn Doping Improved the Structural, Optical and Photovoltaic Properties of MAPbI3-Based Perovskite Solar Cells.

One of the most amazing photovoltaic technologies for the future is the organic-inorganic lead halide perovskite solar cell, which exhibits excellent power conversion efficiency (PCE) and can be produced using a straightforward solution technique. Toxic lead in perovskite can be replaced by non-toxic alkaline earth metal cations because they keep the charge balance in the material and some of them match the Goldschmidt rule's tolerance factor. Therefore, thin films of MAPbI3, 1% Bi and 0%, 0.5%, 1% and 1.5% Sn co-doped MAPbI3 were deposited on FTO-glass substrates by sol-gel spin-coating technique. XRD confirmed the co-doping of Bi-Sn in MAPbI3. The 1% Bi and 1% Sn co-doped film had a large grain size. The optical properties were calculated by UV-Vis spectroscopy. The 1% Bi and 1% Sn co-doped film had small Eg, which make it a good material for perovskite solar cells. These films were made into perovskite solar cells. The pure MAPbI3 film-based solar cell had a current density (Jsc) of 9.71 MA-cm-2, its open-circuit voltage (Voc) was 1.18 V, its fill factor (FF) was 0.609 and its efficiency (η) was 6.98%. All of these parameters were improved by the co-doping of Bi-Sn. The cell made from a co-doped MAPbI3 film with 1% Bi and 1% Sn had a high efficiency (10.03%).

The Effect of 600 keV Ag Ion Irradiation on the Structural, Optical, and Photovoltaic Properties of MAPbBr3 Films for Perovksite Solar Cell Applications.

A competitive new technology, organic metallic halide perovskite solar cells feature a wide working area, low manufacturing costs, a long lifespan, and a significant amount of large efficacy of power conversion (PCE). The spin-coating technique was utilized for the fabrication of pure CH3NH3PbBr3 (MAPbBr3) thin films, and these films are implanted with 600 keV silver (Ag) ions at fluency rate of 6 × 1014 and 4 × 1014 ions/cm2. XRD analysis confirmed the cubic structure of MAPbBr3. A high grain size was observed at the fluency rate of 4 × 1014 ions/cm2. The UV-Vis spectroscopic technique was used to calculate the optical properties such as the bandgap energy (Eg), refractive index (n), extinction coefficients (k), and dielectric constant. A direct Eg of 2.44 eV was measured for the pristine film sample, whereas 2.32 and 2.36 eV were measured for Ag ion-implanted films with a 4 × 1014 and 6 × 1014 ions/cm2 fluence rate, respectively. The solar cells of these films were fabricated. The Jsc was 6.69 mA/cm2, FF was 0.80, Voc was 1.1 V, and the efficiency was 5.87% for the pristine MAPbBr3-based cell. All of these parameters were improved by Ag ion implantation. The maximum values were observed at a fluency rate of 4 × 1014 ions/cm2, where the Voc was 1.13 V, FF was 0.75, Jsc was 8.18 mA/cm2, and the efficiency was 7.01%.

In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts of Nigella sativa and Pimpinella anisum as Potential Inhibitors of 3CL Protease of SARS-CoV-2.

Coming into the second year of the pandemic, the acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its variants continue to be a serious health hazard globally. A surge in the omicron wave, despite the discovery of the vaccines, has shifted the attention of research towards the discovery and use of bioactive compounds, being potential inhibitors of the viral structural proteins. The present study aimed at the green synthesis of zinc oxide (ZnO) nanoparticles with seed extracts of Nigella sativa and Pimpinella anisum-loaded nanostructured oil carriers (NLC)-using a mixture of olive and black seed essential oils. The synthesized ZnO NLC were extensively characterized. In addition, the constituent compounds in ZnO NLC were investigated as a potential inhibitor for the SARS-CoV-2 main protease (3CLpro or Mpro) where 27 bioactive constituents, along with ZnO in the nanostructure, were subjected to molecular docking studies. The resultant high-score compounds were further validated by molecular dynamics simulation. The study optimized the compounds dithymoquinone, δ-hederin, oleuropein, and zinc oxide with high docking energy scores (ranging from -7.9 to -9.9 kcal/mol). The RMSD and RMSF data that ensued also mirrored these results for the stability of proteins and ligands. RMSD and RMSF data showed no conformational change in the protein during the MD simulation. Histograms of every simulation trajectory explained the ligand properties and ligand-protein contacts. Nevertheless, further experimental investigations and validation of the selected candidates are imperative to take forward the applicability of the nanostructure as a potent inhibitor of COVID-19 (Coronavirus Disease 2019) for clinical trials.

Photovoltaic Properties of ZnO Films Co-Doped with Mn and La to Enhance Solar Cell Efficiency.

In the present investigation, ZnO films co-doped with Mn and La were synthesized by the sol-gel technique. XRD analysis revealed that ZnO had a hexagonal structure. Mixed hexagonal and cubic phases appeared in ZnO containing Mn (1%) and La (1.5%). The grain size, d-spacing, unit cell, lattice parameters, atomic packing fraction, volume, strain, crystallinity, and bond length of co-doped ZnO films were determined as a function of doped ion contents. Through UV analysis, it was found that pristine ZnO had Eg = 3.5 eV, and it decreased when increasing the doping concentration, reaching the minimum value for the sample with 1% Mn and 1% La. The optical parameters of the films, such as absorption, transmittance, dielectric constants, and refractive index, were also analyzed. DSSCs were fabricated using the prepared ZnO films. For pure ZnO film, the values were: efficiency = 0.69%, current density = 2.5 mAcm-2, and open-circuit voltage = 0.56 V. When ZnO was co-doped with Mn and La, the efficiency increased significantly. DSSCs with a ZnO photoanode co-doped with 1% Mn and 1% La exhibited maximum values of Jsc = 4.28 mAcm-2, Voc = 0.6 V, and efficiency = 1.89%, which is 174% better than pristine ZnO-based DSSCs. This material is good for the electrode of perovskite solar cells.

Conception and Theoretical Study of a New Copolymer Based on MEH-PPV and P3HT: Enhancement of the Optoelectronic Properties for Organic Photovoltaic Cells.

A new copolymer has been studied, which is formed by Poly(2-methoxy-5-(2-ethyl-hexyloxy)-1,4-phenylene-vinylene) (MEH-PPV) and poly(3-hexylthiophene) (P3HT). The choice of these π-conjugated polymers was based on their semiconductor characters and their great applicability in electronic organic devices. The structure and vibrational and optoelectronic properties were simulated by calculations based on DFT, TD-DFT, and ZINDO. This material shows original and unique properties compared to the basic homopolymers. Thus, the obtained results reveal that this copolymer can be mixed with the (6,6)-phenyl C61 butyric acid methyl ester (PCBM) to give existence to a new composite that can be used as an active layer for an organic solar cell.

Green Synthesis of Silver Nanoparticles (Ag-NPs) Using Debregeasia Salicifolia for Biological Applications.

The synthesis of nanoparticles (NPs) using the green route is environmentally harmonious and cost-effective compared to conventional chemical and physical methods. In this study, the green synthesis of silver NPs was carried out using an extract of Debregeasia salicifolia. The synthesized Ag NPs were characterized by means of different techniques i.e., UV-Vis spectroscopy, FTIR spectroscopy, SEM, and XRD. The XRD pattern exhibited distinctive Bragg's peaks at (200), (111), (311), and (220). The XRD analysis confirmed the face-centered cubic geometry of the synthesized NPs and revealed that the nature of these NPs is crystalline. The synthesized NPs were verified for their antibacterial activities against Gram-negative Escherichia coli (E. coli) and Gram-positive Staphylococcus aureus (S. aureus) bacteria. It showed that antibacterial activity of synthesized silver (NPs) was increased with increasing concentrations of both calcined and non-calcined NPs. The antioxidant activities of Ag NPs were also determined against ABTS at different concentrations for both calcined and non-calcined Ag NPs. Non-calcined Ag NPs have greater antioxidant activity than calcined Ag NPs. This report has a significant medicinal application, and it might open up new horizons in this field.

Photophysical Properties of the PVK-MEH-PPV/PCBM Composite for Organic Solar Cells Application: Synthesis, Characterization and Computational Study.

The physical and chemical properties of a new organic composite including PVK-MEH-PPV bi-block copolymer and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) were recorded. The functionalization and the charge transfer that occurs between donor and acceptor were examined and computed. In fact, the stationary and time-resolved photoluminescence properties were used to examine the effect of the PCBM on the optical properties of the PVK-MEH-PPV matrix. The photoluminescence quenching accompanied by faster PL decay confirmed the charge transfer and interaction process. The electrical and optoelectronic properties and the charge carriers' injection in the resulting composite were examined. The experimental conclusion was corroborated and confirmed by a calculation based on density functional theory (DFT). Hence, the combination of experimental and theoretical results indicated that the result composite can be applied as an active layer for organic solar cells.

Absorption and desorption of hydrogen in Ti1.02Cr1.1Mn0.3Fe0.6RE0.03: experiments, characterization and analytical interpretation using statistical physics treatment.

In this work, the absorption and desorption isotherms of hydrogen on Ti1.02Cr1.1Mn0.3Fe0.6RE0.03 (RE = La, Ce, Ho) metals were collected at three temperatures under the same experimental conditions. This was carried out in order to determine the rare earth effect on the hydrogen storage performance of the Ti1.02Cr1.1Mn0.3Fe0.6 metal. The equilibrium data showing the hydrogen absorbed/released amounts per unit of absorbent mass have provided useful details to describe the absorption/desorption processes. Indeed, statistical physics formalism is appealing to ascribe advanced interpretations to the complexation mechanism. The physico-chemical parameters included in the model analytical expression are numerically determined from the experimental data fitting. We have found that the model can describe the complexation process through steric parameters such as the site densities (N 1m and N 2m), the numbers of atoms per site (n 1 and n 2) and energetic parameters (P 1 and P 2). The behavior of each parameter is examined in relation to the sorption mechanism. Overall, the energetic interpretation reveals that the desorption and absorption of H-gas in the Ti1.02Cr1.1Mn0.3Fe0.6RE0.03 alloys can be characterized by chemical interactions. In addition, the expression of the appropriate model is exploited to determine the thermodynamic potential functions that describe the absorption phenomenon.