Hydrogen sulfide gas detection by Au-decorated ZnO nanotube: a computational study and comparison to experimental observations

Based on the experimental reports, Au-decoration on the ZnO nanostructures dramatically increases the electronic sensitivity to H₂S gas. In the current study, we computationally scrutinized the mechanism of Au-decoration on a ZnO nanotube (ZON) and the influence on its sensing behavior toward H₂S gas. The intrinsic ZON weakly interacted with the H₂S gas with an adsorption energy of ?11.2 kcal/mol. The interaction showed no effect on the HOMO–LUMO gap and conductivity of ZON. The predicted response of intrinsic ZON toward H₂S gas is 6.3, which increases to 78.1 by the Au-decoration at 298 K. The corresponding experimental values are about 5.0 and 80.0, indicating excellent agreement with our findings. We showed that the Au atom catalyzes the reaction 3O₂?+?2H₂S?→?2SO₂?+?2H₂O. Our calculated energy barrier (at 298 K) is about 12.3 kcal/mol for this reaction. The gap and electrical conductance Au-ZON largely changed by this reaction are attributed to the electron donation and back-donation processes. The obtained recovery time is about 1.35 ms for desorption of generated gases from the surface of the Au-ZON sensor.     

Influence of pressure and dwell time on pressure-assisted sintering of calcium cobaltite

Calcium cobaltite Ca₃Co₄O₉, abbreviated Co349, is a promising thermoelectric material for high-temperature applications in air. Its anisotropic properties can be assigned to polycrystalline parts by texturing. Tape casting and pressure-assisted sintering (PAS) are a possible future way for a cost-effective mass-production of thermoelectric generators. This study examines the influence of pressure and dwell time during PAS at 900°C of tape-cast Co349 on texture and thermoelectric properties. Tape casting aligns lentoid Co349. PAS results in a textured Co349 microstructure with the thermoelectrically favorable ab-direction perpendicular to the pressing direction. By pressure variation during sintering, the microstructure of Co349 can be tailored either toward a maximum figure of merit as required for energy harvesting or toward a maximum power factor as required for energy harvesting. Moderate pressure of 2.5 MPa results in 25% porosity and a textured microstructure with a figure of merit of 0.13 at 700°C, two times higher than the dry-pressed, pressureless-sintered reference. A pressure of 7.5 MPa leads to 94% density and a high power factor of 326 µW/mK² at 800°C, which is 11 times higher than the dry-pressed reference (30 MPa) from the same powder.     

Effect of PAN-based and pitch-based carbon fibres on microstructure and properties of continuous Cf/ZrB2-SiC UHTCMCs

In this paper the microstructure and mechanical properties of two different C_f/ZrB₂-SiC composites reinforced with continuous PyC coated PAN-derived fibres or uncoated pitch-derived fibres were compared.Pitch-derived carbon fibres showed a lower degree of reaction with the matrix phase during sintering compared to PyC/PAN-derived fibres. The reason lies in the different microstructure of the carbon. The presence of a coating for PAN-derived fibres was found to be essential to limit the reaction at the fibre/matrix interface during SPS. However, coated bundles were more difficult to infiltrate, resulting in a less homogeneous microstructure.As far as the mechanical properties are concerned, specimens reinforced with coated PAN-derived fibres provided higher strengths and damage tolerance than uncoated pitch-derived fibres, due to the higher degree of fibre pull-out. On the other hand, the weaker fibre/matrix interface resulted in lower interlaminar shear, off-axis strength and ablation resistance.     

Chemical bond characteristics and infrared reflectivity spectrum of a novel microwave dielectric ceramic CaIn2O4 with near-zero τf

Orthorhombic-structured CaIn₂O₄ ceramics with a space group Pca2₁ were synthesized via a solid-state reaction method. A high relative density (95.6 %) and excellent microwave dielectric properties (ε_r ～11.28, Qf = 74,200 GHz, τ_f ～ ?4.6 ppm/°C) were obtained when the ceramics were sintered at 1375 °C for 6 h. The dielectric properties were investigated on the basis of the Phillips–Van Vechten–Levine chemical bond theory. Results indicated that the dielectric properties were mainly determined by the InO bonds in the CaIn₂O₄ ceramics. These bonds contributed more (74.65 %) to the dielectric constant than the CaO bonds (25.35 %). Furthermore, the intrinsic dielectric properties of the CaIn₂O₄ ceramics were investigated via infrared reflectivity spectroscopy. The extrapolated microwave dielectric properties were ε_r ～10.12 and Qf = 112,200 GHz. Results indicated that ion polarization is the main contributor to the dielectric constant in microwave frequency ranges.     

Toward a better understanding of multifunctional cement-based materials: The impact of graphite nanoplatelets (GNPs)

The impact of graphite nanoplatelets (GNPs) on the physical and mechanical properties of cementitious nanocomposites was investigated. A market-available premixed mortar was modified with 0.01% by weight of cement of commercial GNPs characterized by two distinctively different aspect ratios.The rheological behavior of the GNP-modified fresh admixtures was thoroughly evaluated. Hardened cementitious nanocomposites were investigated in terms of density, microstructure (Scanning Electron Microscopy, SEM and micro–Computed Tomography, μ-CT), mechanical properties (three-point bending and compression tests), and physical properties (electrochemical impedance spectroscopy, EIS and thermal conductivity measurements). At 28 days, all GNP-modified mortars showed about 12% increased density. Mortars reinforced with high aspect ratio GNPs exhibited the highest compressive and flexural strength: about 14% and 4% improvements compared to control sample, respectively. Conversely, low aspect ratio GNPs led to cementitious nanocomposites characterized by 36% decreased electrical resistivity combined with 60% increased thermal conductivity with respect to the control sample.     

Thermal and dynamic mechanical behavior of epoxy composites reinforced with post-consumed yerba mate

Yerba mate (YM) is widely consumed in Latin American countries, and its residues can be used as bio-resources such as reinforced in epoxy composites. The present work aims to produce epoxy resin composites and evaluate the influence of post-consumed YM as reinforcement. The concentrations of YM used were 5, 10, and 20% (wt/wt). Chemical, thermal, morphological, and dynamic mechanical behaviors were explored. The YM incorporation did not influence chemically on the epoxy structure and a pull-out phenomenon was observed as YM content increased. The YM at lower concentrations (5 and 10%) led to higher values of activation energies calculated from model-free isoconversional methods. On the other hand, the composite e/YM 20 wt% improved all dynamic-mechanical properties. YM proved to be a suitable and cheap reinforcement for epoxy resin.     

Development of a difunctional oxirane and multifunctional acrylate interpenetrating polymer network composite system with antimicrobial properties

This research continued the development of a difunctional Oxirane and multifunctional Acrylate interpenetrating polymer network composite System (OASys) with antimicrobial properties. The effects of 4-Isopropyl-4′-methyldiphenyliodonium tetrakis (pentafluorophenyl) borate (Borate), hexamethylene diamine (HMDA) and N,N-dimethyl p-toluidine (DMPT) on OASys (Epalloy 5001:dipentaerythritol hexaacrylate) composite hardness, contact angle, monomer-to-polymer degree of conversion (DoC), mechanical properties, polymerization shrinkage, shrinkage stress, and antimicrobial properties were determined. Bis-GMA:TEGDMA composites were used as the control. OASys composites with 9 wt% Borate and 0.5 wt% DMPT or 1.5 wt% HMDA had comparable hardness, DoC's and polymerization shrinkages to controls, but had lower contact angles and mechanical properties. Additionally, OASys composites with 1.5 wt% HMDA had significantly less polymerization stress than controls and demonstrated significant antibacterial activity against Streptococcus mutans and Lactobacillus casei out to 3 months. With lower shrinkage stress and long-term antimicrobial activity, OASys composites look promising for increasing the clinical lifetime of dental composites, but improvements in mechanical properties are needed.     

Wear and thermal behavior of basalt fiber reinforced rice husk/polyvinyl chloride composites

Plant fiber reinforced polymer composites (PFRPs) in practical application are often subjected to both complex friction and variable temperature environments. The present work explores the possibility of reinforcing rice husk/polyvinyl chloride (RH/PVC) composites with basalt fibers (BF) for developing a new wear resistant material with improved thermal stability. The results showed that the structural strength and wear resistance of the composites increased at first and then decreased with an increasing ratio of BF/RH, the highest value occurred at a BF/RH ratio of 8/42. The thermal stability of composites had a positive relationship with BF/RH ratio. The composites added with BF all possessed improved performance in comparison with unadded composites. Hence, the findings of this article proposed some new perspectives on improving the wear resistance and thermal stability of PFRPs that would broaden their practical application.     

How the biaxially stretching mode influence dielectric and energy storage properties of polypropylene films

The most important polymer film used in commercial capacitors is biaxially oriented polypropylene (BOPP), which could be produced by sequentially or simultaneously biaxial orientation after the melt-extrusion. In order to disclose the influence of the stretching technique on the properties of films, the BOPP films with varied thickness were fabricated by sequential and simultaneous orientation, respectively. Compared to the sequentially biaxially stretched films, the crystal grains in the simultaneously biaxially stretched films are more isotropically dispersed. As temperature increases, all the BOPP films exhibit similar dielectric constant, and the simultaneous films have much lower dielectric loss thanks to the finer blended crystalline and amorphous phases. When the film thickness is smaller than 5 μm, the breakdown field strength, energy density and discharging time of the simultaneous films can be increased by at least 10% comparing to the sequential ones, which is very important for reducing the volume of the film capacitors. All the results suggest the simultaneously biaxial orientation mode shows significant advantages in producing thin BOPP films with better mechanical and electrical properties.