Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 3 de 3
Filter
Add more filters










Database
Language
Publication year range
1.
J Mol Graph Model ; 129: 108729, 2024 06.
Article in English | MEDLINE | ID: mdl-38479238

ABSTRACT

The recent discovery of superconductivity behavior in the mother BiS2-layered compounds has captivated the attention of several physicists. The crystal structure of superconductors with alternate layers of BiS2 is homologous to that of cuprates and Fe-based superconductors. The full-potential linearized augmented plane-wave (FP-LAPW) technique was utilized to investigate the electronic structures and density of states in the vicinity of the Fermi energy of SrFBiS2 and BaFBiS2 compounds under the electron carriers doping. The introduction of electron doping (carries doping) reveals that the host compounds SrFBiS2 and BaFBiS2 exhibit features indicative of superconductivity. This carrier doping of SrFBiS2 and BaFBiS2 compounds (electron-doped) has a significant impact on the lowest conduction states near the Fermi level for the emergence of the superconducting aspect. The electron doping modifies and induces changes in the electronic structures with superconducting behavior in (Ae)1.7FBiS2(Ae=Sr,Ba) compounds. A Fermi surface nesting occurred under the modification of electrons (carriers) doping in the host compounds SrFBiS2 and BaFBiS2. Furthermore, the optical characteristics of the carrier-doped SrFBiS2 and BaFBiS2 compounds are simulated. Due to the anisotropic behavior, the optical properties of these materials based on BiS2 demonstrate a pronounced polarization dependency. The starting point at zero photon energy in the infrared region is elucidated by considering the Drude features in the optical conductivity spectra of SrFBiS2 and BaFBiS2 compounds, when the electron carriers doping is applied. It was clearly noticed that the spin-orbit coupling (SOC) influences the electronic band structures, density of states, Femi surface, and optical features because of the heavy Bismuth atom, which may disclose fascinating aspects. Further, we conducted simulations to assess the thermoelectric properties of these mother compounds. The two BiS2-layered compounds could be suitable for practical thermoelectric purposes and are highlighted through assessment of electrical conductivity, thermal conductivity, Seebeck coefficient, and power factor. As a result, we propose that the mechanisms of superconducting behavior in BiS2 family may pave new avenues for investigating the field of unconventional superconductivity. It may also provide new insights into the origin of high-Tc superconductivity nature.


Subject(s)
Bismuth , Electronics , Electric Conductivity , Anisotropy , Electrons
2.
Heliyon ; 9(4): e15552, 2023 Apr.
Article in English | MEDLINE | ID: mdl-37151688

ABSTRACT

With the aim of exploring the possibility of achieving a low-cost thermal spray coating to prevent wear, erosion and corrosion. In the current study, flyash-Al2O3 and flyash-SiC composite coatings were effectively created using the air plasma spray process on substrates of Al6061 alloy. NiCr material is used as the bond coat to improve the bond strength between the coat and the substrate. Taguchi's DoE method is applied to for spray process parameters optimization. In addition, the developed coating is subjected to microstructure analysis and long-term immersion corrosion testing (1 year) in an aqueous environment to assess corrosion properties. The results revealed that the over a certain test period, the developed flyash-SiC coating has greater corrosion resistance than the uncoated and flyash-Al2O3 coated Al6061. It is noticed that the corrosion resistance of the flyash-Al2O3 coating shifts to a negative value with respect to the uncoated substrate. The uncoated sample is extensively pitted and locally corroded, as shown by the SEM image of the corroded surface. Flyash-corroded Al2O3's surface exhibits extensive degradation in the form of peeling, breaking, and cracking of the splats. With flyash-SiC composite coating a very minor corrosion splat deterioration is seen.

3.
Materials (Basel) ; 15(18)2022 Sep 09.
Article in English | MEDLINE | ID: mdl-36143584

ABSTRACT

Antimony trisulfide (Sb2Se3), a non-toxic and accessible substance, has possibilities as a material for use in solar cells. The current study numerically analyses Sb2Se3 solar cells through the program Solar Cell Capacitance Simulator (SCAPS). A detailed simulation and analysis of the influence of the Sb2Se3 layer's thickness, defect density, band gap, energy level, and carrier concentration on the devices' performance are carried out. The results indicate that a good device performance is guaranteed with the following values in the Sb2Se3 layer: an 800 optimal thickness for the Sb2Se3 absorber; less than 1015 cm-3 for the absorber defect density; a 1.2 eV optimum band gap; a 0.1 eV energy level (above the valence band); and a 1014 cm-3 carrier concentration. The highest efficiency of 30% can be attained following optimization of diverse parameters. The simulation outcomes offer beneficial insights and directions for designing and engineering Sb2Se3 solar cells.

SELECTION OF CITATIONS
SEARCH DETAIL
...