Benchmarking the high conductive two-dimensional layered structured NbS, ZrS, ReS and NbSe materials with zero energy bandgap ( ) for photocatalytic application: a DFT study.

Two-dimensional materials are among the most scientifically accessible materials in material science at the beginning of the twenty-first century. There has been interest in the monolayer transition metal dichalcogenide (TMDC) family because of its large active site surface area for UV photons of light for wastewater treatment. In the present work, density functional theory (DFT) is utilized to model the optical, structural and electrical properties of TMDCs such as NbS, ZrS, ReS and NbSe using the GGA-PBE simulation approximation.

Phase transformation and mechanical properties of new bioactive glass-ceramics derived from CaO-PO-NaO-BO-SiO glass system.

This work investigates the role of sintering temperature on bioactive glass-ceramics derived from the new composition CaO-PO-NaO-BO-SiO glass system. The sintering behaviour of the samples' physical, structural, and mechanical properties is highlighted in this study. The experimental results indicated that the sintering process improved the crystallization and hardness of the final product.