RESUMEN
Auxetic materials are in high demand for advanced applications due to their relatively rare negative Poisson's ratio in two-dimensional materials. This study investigates the structural, mechanical, electronic, optical and photocatalytic properties of the AsBiTe3monolayer(ML) using first-principles calculations. Through analysis of phonon dispersion curves,ab-initiomolecular dynamics simulations, and Born conditions, we have confirmed the thermal, dynamic, and mechanical stability of the AsBiTe3monolayer. The study of the mechanical properties of this material revealed significant anisotropy and a bidirectional in-plane negative Poisson's ratio (NPR). In addition, electronic band structures calculated, with and without spin-orbit coupling (SOC) using the HSE functional, indicate that this monolayer exhibits the characteristics of an indirect-gap semiconductor around 1.17 and 1.32 eV, respectively. Notably, by assessing the optical properties of AsBiTe3monolayer, it has been found that this monolayer has a strong light-harvesting capability with an absorption coefficient higher than 105 cm-1in the visible region. Fascinatingly, under a biaxial 1%and 4%tensile and -2% compressive strain, the band edge of the AsBiTe3monolayer extends across the redox potential of water at pH = 0, 7 and 14, respectively. This suggests that this monolayer holds promise as a potential material for catalytic water splitting. These results should inspire further experimental and theoretical research, aimed at fully exploring the potential applications of this new class of 2D materials.
RESUMEN
Using first principle calculations, we have studied the structural and electronic properties of two dimensional bilayers of indium and gallium chalcogenides. With density functional theory corrected for van der Waals interactions, the different modes of stacking were investigated in a systematic way, and several of them were found to compete in energy. Then, their band structures were obtained with the GW approximation and found to correspond to indirect bandgap semiconductors with a small dependency on the mode of stacking. Finally, by analysing the electron density, it appeared that GaSe-InS is a promising system for electron-hole separation.
RESUMEN
It has previously been suggested that southern Tunisian oases may be suitable areas for the circulation of flaviviruses. In order to anticipate and prevent possible epidemiological spread of flaviviruses in humans and domestic animals, the ecology of their transmission in the oasis system needs to be better understood. Thus, the aim of this study was to assess the seroprevalence of anti-flavivirus antibodies in the laughing dove (Spilopelia senegalensis), an abundant resident bird in Tunisian oases. Anti-flavivirus antibodies were detected in 17% of sampled doves. Ten per cent of the total tested doves were West Nile virus (WNV) seropositive and 4% were Usutu virus (USUV) seropositive, which provides the first evidence of USUV circulation in Tunisian birds. We also found that the occurrence probability of anti-flavivirus antibodies in dove plasma increased with decreasing distance to coast, suggesting that doves inhabiting coastal oases were more exposed to flaviviruses compared with those inhabiting inland oases. We also found significantly higher antibody occurrence probability in adult doves compared with young doves, which underlines the effect of exposure time. Overall, our results suggest that the laughing dove may be used for WNV and USUV surveillance in southern Tunisia. They also stress the need for investigations combining data on birds and mosquitoes to better understand the ecological factors governing the circulation of flaviviruses in this area.
