Natural Science

The paper presents the results of a study on the essential physical properties of armchair SiSn nanoribbon (SiSnNR) material, based on density functional theory (DFT) using the quantum simulation program VASP. Structural parameters are highlighted along with electronic and optical properties. The findings reveal that SiSnNR exhibits significant differences in ...

Improving and exploring the photocatalytic performance of composites for new models continues to pose a challenge. Here, a straightforward thermal dispersion method is achieved by incorporating nitrogen (N) into TiO2 at different weights (1%, 3%, and 5%) to enhance photocatalytic activity. The material properties are analyzed through ultraviolet-visible diffuse reflectance ...

This study investigates the structural and electronic properties of Au-doped silicene nanoribbons (SiNRs) under the influence of an external electric field of 0.4 eV/Å, utilizing density functional theory (DFT). The stability and structural integrity of SiNRs following Au doping are assessed, considering two distinct doping configurations: the top configuration and ...

In this paper, the structural properties of crystalline and polycrystalline Cr have been investigated using molecular dynamics simulations. The interaction between atoms is modeled via the MEAM potential. Periodic boundary conditions are applied in the x, y, and z directions. The structural characteristics are analyzed through the total energy function, ...

Advanced materials have been of interest in recent years because of their outstanding properties that bring many useful applications to humans, they can be highly compatible with alternative materials. In particular, coating materials on HAp base increase the biocompatibility of HAp. In this study, we synthesize TiO2/HAp composite materials using ...

In physics, the majority of natural events have been researched and described using differential equations, each having its own initial and boundary conditions. These differential equations contain a large number of fundamental constants as well as other model parameters. They add to the equation's complexity and rounding errors, ...

Diatomite from Tuy An district, Phu Yen province, with different purities and diatom integrity as catalyst carriers, were adopted to prepare TNTs/g-C3N4 composite catalysts by a sol-gel method, with an optimal weight ratio of 1:1 for TNTs/g-C3N4 and diatomite. Compared with pure TNTs, g-C3N4, and TNTs/g-C3N4, the obtained composite photocatalysts ...

Investigating the characteristics of the three-step sorption of Sc on armchair silicene nanoribbons is the aim of this study. Since absorbed energy is the largest of the bridge, hollow, valley, and top positions, the hollow position is selected first. The structural state of the second step has an energy of ...

S-TiO2 typically exhibits high photocatalytic activity, but its powdered form makes it difficult to apply practically in environmental treatment. Diatomite from different locations varies in purity and integrity of the diatomaceous earth, making it a suitable catalyst support for synthesizing mixed-phase S-TiO2 catalysts using the sol-gel technique. The synthesized photocatalyst ...