Shabir Ali

Epoxy resins are characterized by high rigidity and strength, making them suitable for applications in the aerospace, automotive, construction, and electronics industries. However, their inherent brittleness significantly limits their effectiveness in terms of tensile strength, compressive strength, and wear resistance under demanding operational conditions. To address these limitations, this study presents the design and synthesis of a ternary hybrid nanofiller system composed of metallic nanoparticles (Nano‐Ti), ultrasmall inorganic molybdenum disulfide (MoS ₂ ) nanoparticles, and carbon nanofibers (CNFs). These hybrid nanofillers were incorporated into an epoxy matrix to concurrently enhance its mechanical and tribological properties. The hybrid additives were integrated at various weight percentages, with the composite containing 4 wt% filler demonstrating the highest reinforcing efficiency. Comprehensive mechanical evaluation, including tensile, compression, and wear testing, along with scanning electron microscopy (SEM) analysis of fracture and wear surfaces, revealed that the incorporation of the hybrid fillers significantly improved the overall performance of the composites. These findings underscore the critical importance of optimizing filler loading to achieve a balance between dispersion stability and enhanced material properties. Furthermore, they provide valuable insights into the synergistic effects of combining metal and inorganic nanofillers, thereby establishing a theoretical foundation for future research and development of high‐performance epoxy‐based nanocomposites.

Currently, hybrid organic–inorganic perovskites attract considerable attention because of their excellent efficiency in energy conversion and tunable optical and electronic properties. The purpose of this research report is to theoretically determine the mechanical, optical, and electrical characteristics of the perovskites K ₂ TlInY ₆ (Y [ ] Cl, Br, I), which might be useful in energy scavenging applications. Using the Wein2k coding under the framework of density functional theory (DFT), the mechanical properties of the title perovskites are highly stable. The replacement of I (iodine) ions by their counterparts, such as Cl, Br (chlorine and bromine), leads to shrunk down of the lattice parameters and bond length of the In (indium)–Y (halides). From the electronic band energy properties, these perovskites exhibit indirect band gaps, with calculated energies of 3.44[ ]eV (3.70[ ]eV) for K ₂ TlInCl ₆ , 2.42[ ]eV (3.01[ ]eV) for K ₂ TlInBr ₆ , and 1.38[ ]eV (2.38[ ]eV) for K ₂ TlInI ₆ , as obtained using the TB-mBJ and (HSE06) approximations, respectively. The analysis of the density of energy states and optical bandgaps revealed that K ₂ TlInCl ₆ , K ₂ TlInBr ₆ , and K ₂ TlInI ₆ exhibit significant conductivity and strong electromagnetic energy absorption properties in the UV, visible, and infrared energy ranges, which is also supported by their low reflectivity. The combination of high electrical conductivity, moderate thermal conductivity, and higher ZT values of 0.771, 0.770, and 0.760, respectively, at 800[ ]K makes them promising candidates for thermoelectric applications.

To improve the efficiency of optoelectronic and thermoelectric devices, it is necessary to understand the effect of vacuum thickness on the physical properties of low-dimensional halide perovskites. In this paper, Density Functional Theory (DFT)-based simulation was used to explore the thermodynamic properties of bulk Cs ₂ GeTmI ₆ double perovskites and their associated vacuum thicknesses. It focuses on how vacuum thickness affects the optical and thermodynamic parameters and their energetic performance. The Struct Gen program in WIEN2K code was utilized to generate three distinct vacuum thicknesses ([ ], [ ], [ ]) of bulk Cs ₂ GeTmI ₆ double perovskites. The PBE-GGA potential was used to investigate the optical properties. The Gibbs2 code was used to explore the thermodynamic properties of bulk Cs ₂ GeTmI ₆ double perovskite compound and its associated vacuum thickness. Further, the thermodynamic behavior was studied at high-pressure–temperature conditions. The results show that the thermal expansion coefficient, entropy and enthalpy properties are significantly affected by vacuum thickness. Our findings elucidate the basic impact of vacuum thickness on the thermodynamic properties of Cs2GeTmI6, delivering critical insights for its prospective uses in energy harvesting and optoelectronic devices.

This study examines the impact of substitutional doping of Bi and Sb on the structural, electronic, mechanical and optical properties of ZnO, using first-principles density functional theory (DFT) calculations. Introducing dopants causes a transition from semiconductor to metal, mainly based on the reduction of the band gap and rise in carrier concentration. Thermal stability of the material is well confirmed with the aid of ab initio molecular dynamics (AIMD) simulations; elastic constants show greater stiffness and greater ductility. Marked charge redistribution is reported by the results obtained from electron density difference (EDD) analysis; the Bi–O interactions show stronger polarization effects than those for the Sb–O interactions. In the end, such changes in electronic structure increase optical properties: Incorporation of Bi enhances UV absorption and reflectivity, whereas Sb enhances absorption peaks utilizing defect-state transitions. Therefore, the sophistication of ZnO’s properties using dopant engineering makes it a promising candidate for optoelectronic and energy applications.