Exploring the potential of lead-chalcogenide monolayers for room-temperature thermoelectric applications

The development of materials in two-dimensions has been established as an effective approach to improve their thermoelectric performance for renewable energy production. In this article, we generated monolayers of the orthorhombic structured lead-chalcogenides PbX (X = S, Se, and Te) for room-temperature thermoelectric applications. The Density functional theory and semiclassical Boltzmann transport theory-based computational approaches have been adopted to carry out this study. The band structures of PbX monolayers exhibited narrow indirect bandgaps with a large density of states corresponding to their bandgap edges. Accordingly, substantial electrical conductivities and Seebeck coefficients have been obtained at moderate level doping that has caused significant thermoelectric power factors (PFs) and figures-of-merit (zT) ~1. The single-layered PbX showed anisotropic dispersion of electronic states in the band structure. A relatively lighter effective mass of charge carriers has been extrapolated from the bands oriented in the y-direction than that of the x-direction. As a result, the electrical conductivities and PFs have been observed larger in the y-direction. The optimum PFs recorded for single-layered PbS, PbSe, and PbTe in y-direction amounts to 9.90 × 10¹⁰ W/mK²s at 1.0 eV, 10.40 × 10¹⁰ W/mK²s at 0.82 eV, and 10.80 × 10¹⁰ W/mK²s 0.66 eV respectively. Moreover, a slight increase in p-type doping is found to improve the x-component of the PF, whereas n-type doping has led to improvement in the y-component of PF. Our results show an improved thermoelectric response of PbX monolayer (PbTe in particular) than their bulk counterparts reported in the literature, which indicates the promise of PbX monolayers for nanoscale thermoelectric applications at room temperature.     

Nanocomposite powders of hydroxyapatite-graphene oxide for biological applications

The repair of bone fractures is a clinical challenge for patients with impaired healing, such as osteoporosis. Currently, different strategies have been developed to design new biomaterials, enhancing their interactions with biological systems and conducting the cellular behavior in the desired direction to help fracture healing. In the present work, hydroxyapatite-graphene oxide (HA-GO) nanocomposites were produced and the morphological and physicochemical influences of the addition of 0.5 wt%, 1.0 wt% and 1.5 wt% of GO to HA were observed. FEG-SEM and TEM analyses of HA-GO nanocomposites showed HA nanoparticles adhered to the surface of the GO sheets, suggesting an effective method to form nanostructured graphene-based biomaterials. As confirmation, physicochemical analyses by Raman, FTIR and TGA demonstrated a strong affinity between HA and GO, according to the increase of concentration from 0.5 wt% to 1.5 wt% GO in the HA-GO nanocomposites. Also, in order to evaluate the HA-GO nanocomposites behavior under biological microenvironment, in vitro bioactivity and indirect cytotoxicity tests were performed. FEG-SEM analyses confirmed the positive results for the bioactivity properties of HA-GO nanocomposite and indirect cytotoxicity demonstrated that even with a decrease in the hDPSCs viability and proliferation, when increasing to 1.5 wt% of GO concentration, high level of cell viability was exhibited by HA-GO nanocomposites. These biological results suggested the 0.5 wt% HA-GO nanocomposite as a potential bioactive bone graft and a promising biomaterial for bone tissue regeneration, when compared to the pure HA.     

ZnIn2S4/g-C3N4 Nanocomposite for Proficient Elimination of Hg (II) under Visible Light

Journal of Inorganic and Organometallic Polymers and Materials - The present work offers beneficial method for Hg (II) elimination from aqueous solution. ZnIn2S4/g-C3N4 nanocomposites were...     

Stabilization of 6H-Hexagonal SrMnO3 Polymorph by Al2O3 insertion

We demonstrate the structural evolution of polymorphic phases in Al₂O₃-inserted SrMnO₃ ceramics synthesized by solid state reaction. While the 4H-hexagonal phase is predominant in pure SrMnO₃ ceramics, a small amount of 6H-hexagonal polymorph is identified in addition to the primary 4H-hexagonal SrMnO₃ and the secondary hexagonal SrAl₂O₄ phases in the as-sintered ceramics, evidenced by x-ray diffraction and subsequent Rietveld refinement analyses. The existence of the 6H-hexagonal SrMnO₃ phase is corroborated using Raman spectroscopy. The chemical compositions and electronic structures of the Al₂O₃-inserted SrMnO₃ compounds are also examined using energy dispersive spectroscopy and x-ray photoelectron spectroscopy, respectively. The first-principles calculations reveal that there is no clear difference between the total energies of 4H- and 6H-hexagonal polymorphs regardless of the presence/absence of Sr and oxygen vacancies. Possible origins are discussed with the estimation of actual strain based on the refined lattice parameter of 6H SrMnO₃.     

Sintering behaviour of fluorapatite–silicate composites produced from natural fluorapatite and quartz

In this work, the sintering behaviour of fluorapatite (FAp)–silicate composites prepared by mixing variable amounts of natural quartz (2.5 wt% to 20 wt%) and FAp was studied. The composites were pressureless sintered in air at temperatures from 1000 °C to 1350 °C. The effects of temperatures on the densification, phase formation, chemical bonding and Vickers hardness of the composites were evaluated. All the samples exhibited mixed phase, comprising FAp and francolite as the major constituents along with some minor phases of cristobalite, wollastonite, dicalcium silicate and/or whitlockite dependent on the quartz content and sintering temperature. The composite containing 2.5 wt% quartz exhibited the best sintering properties. The highest bulk density of 3 g/cm³ and a Vickers hardness of >4.2 GPa were obtained for the 2.5 wt% quartz–FAp composite when sintered at 1100 °C. The addition of quartz was found to alter the microstructure of the composites, where it exhibited a rod-like morphology when sintered at 1000 °C and a regular rounded grain structure when sintered at 1350 °C. A wetted grain surface was observed for composites containing high quartz content and was believed to be associated with a transient liquid phase sintering.     

Effect of CdO addition on photon,electron, and neutron attenuation properties of boro-tellurite glasses

This research article aims to study the effect of CdO addition on the radiation shielding characteristics of boro-tellurite glasses in the composition of 50B₂O₃ - (50-x) TeO2- xCdO, where x = 0, 10, 20, 30, 40 and 50 mol%. These glasses were exposed to gamma radiation and the transmitted gamma photons were evaluated for energies varying from 15 keV to 15 MeV using Geant4 simulation toolkit. The number of transmitted photons was then used to characterize the gamma shielding for the studied glasses in terms of linear/mass attenuation coefficients, MFP, Z_eff, and HVL. The simulation outcomes were theoretically confirmed by using Phy-X software. The beta (electron) shielding characterization of the involved glasses was also investigated by determining the projectile range and stopping power using ESTAR software. Additionally, the fast neutron shielding characterization of the glasses was achieved by evaluating removal cross-section (Σ_R). The results reveal that the CdO has a small influence on the shielding performance of the boro-tellurite glasses against gamma, beta, and neutron radiations. The shielding performance of the boro-tellurite glasses was compared with that of common shielding materials in terms of MFP. It can be concluded that the boro-tellurite glasses regardless of the concentration of CdO content have promising shielding performance to be used for radiation applications.     

ZnO Nanoplatelets with Controlled Thickness: Atomic Insight into Facet-Specific Bimodal Ligand Binding Using DNP NMR

Colloidal nanoplatelets (NPLs) and nanosheets with controlled thickness have recently emerged as an exciting new class of quantum-sized nanomaterials with substantially distinct optical properties compared to 0D quantum dots. Zn-based NPLs are an attractive heavy-metal-free alternative to the so far most widespread cadmium chalcogenide colloidal 2D semiconductor nanostructures, but their synthesis remains challenging to achieve. The authors describe herein, to the best of their knowledge, the first synthesis of highly stable ZnO NPLs with the atomically precise thickness, which for the smallest NPLs is 3.2 nm (corresponding to 12 ZnO layers). Furthermore, by means of dynamic nuclear polarization-enhanced solid-state ¹⁵N NMR, the original role of the benzamidine ligands in stabilizing the surface of these nanomaterials is revealed, which can bind to both the polar and non-polar ZnO facets, acting either as X- or L-type ligands, respectively. This bimodal stabilization allows obtaining hexagonal NPLs for which the surface energy of the facets is modulated by the presence of the ligands. Thus, in-depth study of the interactions at the organic–inorganic interfaces provides a deeper understanding of the ligand–surface interface and should facilitate the future chemistry of stable-by-design nano-objects.     

Adsorption of anionic dye on eco-friendly synthesised reduced graphene oxide anchored with lanthanum aluminate: Isotherms,kinetics and statistical error analysis

In the present study we made an effort to deploy eco-friendly synthesized reduced graphene oxide/Lanthanum Alluminate nanocomposites (RGO-LaAlO₃) and Lanthanum Alluminate (LaAlO₃) as adsorbents to remove dye from the synthetic media. XRD, SEM, BET surface area and EDX have been used to characterize the above-mentioned adsorbents. The impacts of different factors like adsorbent dosage, the concentration of adsorbate and PH on adsorption were studied. The best fit linear and nonlinear equations for the adsorption isotherms and kinetic models had been examined. The sum of the normalized errors and the coefficient of determination were used to determine the best fit model. The experimental data were more aptly fitted for nonlinear forms of isotherms and kinetic equations. Pseudo-second-order and Freundlich isotherm model fits the equilibrium data satisfactorily. Methyl orange (MO) has been used as model dye pollutant and maximum adsorption capacity was found to be 469.7 and 702.2 mg g^?1 for LaAlO₃ and RGO-LaAlO₃, respectively.     

Emergence of relaxor behavior along with enhancement in energy storage performance in light rare-earth doped Ba0.90Ca0.10Ti0.90Zr0.10O3 ceramics

Nano-sized light rare-earth (La, Pr, Nd, and Sm) doped Ba_0.90Ca_0.10Ti_0.90Zr_0.10O₃ ceramics were synthesized to enhance the energy storage performance. The Rietveld study of bare and doped samples has shown tetragonal crystal symmetry and a single-phase perovskite structure. The rare-earth addition in Ba_0.90Ca_0.10Ti_0.90Zr_0.10O₃ has resulted in a remarkable change in the microstructure of the doped samples. The addition of Nd in Ba_0.90Ca_0.10Ti_0.90Zr_0.10O₃ lattice has resulted in optimum grain size and density among the five compositions. As a result of improvement in morphological characteristics in the Nd-doped sample, the dielectric, ferroelectric and piezoelectric characteristics were significantly enhanced. The Nd-doped sample has shown a relaxor behavior with a maximum dielectric constant of 10788 combined with a high saturation polarization of 41.88 μC/cm². Further, the material has shown optimum electromechanical behavior with excellent aging characteristics. The obtained properties of Nd-doped Ba_0.90Ca_0.10Ti_0.90Zr_0.10O₃ sample justifies its potential application in multi-layer energy storage capacitors.