Density Functional Theory Unveils the Secrets of SiAuF and SiCuF: Exploring Their Striking Structural, Electronic, Elastic, and Optical Properties.

In the quest for advanced materials with diverse applications in optoelectronics and energy storage, we delve into the fascinating world of halide perovskites, focusing on SiAuF and SiCuF. Employing density functional theory (DFT) as our guiding light, we conduct a comprehensive comparative study of these two compounds, unearthing their unique structural, electronic, elastic, and optical attributes. Structurally, SiAuF and SiCuF reveal their cubic nature, with SiCuF demonstrating superior stability and a higher bulk modulus.

Theoretical study on the physical properties of synthesized SrMO (M = Hf and Pt) oxide perovskites using DFT.

We investigated the physical behavior of SrMO (M = Hf and Pt) compounds, which are strontium-based oxide perovskites. We utilized the WIEN2k software to simulate and investigate their physical properties. The structural stability of SrHfO and SrPtO was verified using the Birch-Murnaghan equation of states for optimization.

Structural, Electronic, Elastic, and Optical Characteristics of AgZF (Z = Sb and Bi) Fluoro-Perovskites: Using a Computational Approach for Energy Generation.

This research is being conducted to learn more about various compounds and their potential uses in various fields such as renewable energy, electrical conductivity, the study of optoelectronic properties, the use of light-absorbing materials in photovoltaic device thin-film LEDs, and field effect transistors (FETs). AgZF3 (Z = Sb, Bi) compounds, which are simple, cubic, ternary fluoro-perovskites, are studied using the FP-LAPW and low orbital algorithm, both of which are based on DFT. Structure, elasticity and electrical and optical properties are only some of the many features that can be predicted.

Construction of an Electrical Conductor, Strain Sensor, Electrical Connection and Cycle Switch Using Conductive Graphite Cotton Fabrics.

Researchers in science and industry are increasingly interested in conductive textiles. In this article, we have successfully prepared conductive textiles by applying a graphite dispersion to cotton fabric using a simple brush-coating-drying method and the solvents of dimethyl sulfoxide, dimethyl formamide, and a solvent mixture of both. The sheet resistance of the resulting cotton fabrics could be influenced by the type of polar solvent used to prepare the graphite dispersion and the concentration of graphite.

Review on PEDOT:PSS-Based Conductive Fabric.

This article reviews conductive fabrics made with the conductive polymer poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS), their fabrication techniques, and their applications. PEDOT:PSS has attracted interest in smart textile technology due to its relatively high electrical conductivity, water dispersibility, ease of manufacturing, environmental stability, and commercial availability. Several methods apply PEDOT:PSS to textiles.

Experimental and Theoretical Studies on Optical Properties of Tetra(Imidazole) of Palladium (II) Phthalocyanine.

In this work, the optical properties of tetra(imidazole) of palladium phthalocyanine (PdPc(Im)) in solution form and thin films on glass and fluorine-doped tin oxide (FTO) substrates were investigated via the thermal evaporation technique. The optical band gap was evaluated by ultraviolet-visible spectroscopy (UV-Vis). The energy band gap values were determined based on the Tauc graph.