Tahir Mahmood^1,*, Muhammad Waseem Ashraf^1,*, Shahzadi Tayyaba², Muhammad Munir³, Babiker M. A. Abdel-Banat³, Hassan Ali Dinar³

CMC-Computers, Materials & Continua, Vol.86, No.3, 2026, DOI:10.32604/cmc.2025.072436 - 12 January 2026

Abstract Artificial intelligence (AI) based models have been used to predict the structural, optical, mechanical, and electrochemical properties of zinc oxide/graphene oxide nanocomposites. Machine learning (ML) models such as Artificial Neural Networks (ANN), Support Vector Regression (SVR), Multilayer Perceptron (MLP), and hybrid, along with fuzzy logic tools, were applied to predict the different properties like wavelength at maximum intensity (444 nm), crystallite size (17.50 nm), and optical bandgap (2.85 eV). While some other properties, such as energy density, power density, and charge transfer resistance, were also predicted with the help of datasets of 1000 (80:20). In… More >

S. H. Fan^1,*, Y. S. Song¹, H. J. Hou¹, H. L. Guo², S. R. Zhang³

Chalcogenide Letters, Vol.22, No.12, pp. 987-997, 2025, DOI:10.15251/CL.2025.2212.987 - 01 December 2025

Abstract Using first-principles calculations, the physical behavior of α-Cu₂Se are thoroughly examined. The computed structural parameters align closely with experimental data. Through computational analysis, the electronic properties for α-Cu₂Se are determined. Additionally, mechanical characteristics-including bulk modulus B, shear modulus G, Young’s modulus E, and B/G are evaluated under varying pressure conditions. Furthermore, the optical properties are investigated. The study reveals that α-Cu₂Se exhibits a direct bandgap of 0.782 eV, indicating its promising potential for optoelectronic applications. More >

S. Saleem^a, U. Parveen^a, H. AL-Ghamdi^b,*, M. Yaseen^a, I. Sajjad^a, Nasarullah^a

Chalcogenide Letters, Vol.22, No.3, pp. 223-237, 2025, DOI:10.15251/CL.2025.223.223

Abstract Present research reveals the doping effect on physical properties of Sr_1-xFe_xS by employing ab-initio calculations. The negative formation energy and optimization outcomes exhibit the stability of the Sr_1-xFe_xS alloys with ferromagnetic phase. Spin dependent band structure (BS) and density of states (DOS) interpret that Sr_1-xFe_xS revealed half metallic ferromagnetic (HMF) nature at 6.25% and 12.5% of Fe doping while metallic character is revealed at 25% concentration of dopant. Spin-up state of Sr_0.9375Fe_0.0625S and Sr_0.8750Fe_0.1250S depicts semiconductive behavior with bandgap value of 2.01/2.33 eV, correspondingly, while metallic in spin-down channel. The magnetism in the system is mainly originated because… More >

S. Çelik^a,*, M. Temiz^b

Chalcogenide Letters, Vol.22, No.1, pp. 89-96, 2025, DOI:10.15251/CL.2025.221.89

Abstract In this study, PbZnS thin films with varying concentrations of lead (Pb) and zinc (Zn) were successfully produced using the spray pyrolysis method. The structural, optical and surface properties of the films were systematically investigated as a function of the Pb/Zn ratio. Xray diffraction (XRD) analysis confirmed the polycrystalline nature of the films, showing a cubic zinc blende structure with improved crystallinity as Pb content increased. Initially, with the increase in Pb concentration, larger crystallite sizes and decreased microstress were observed, but with the increase of Pb addition, the formation of secondary phases and the… More >

H. R. Shakir^a, O. A. Chichan^b, M. S. Sada^c,*, S. A. Hussein^d, S. S. Chiad^e, N. F. Habubi^f, Y. H. Kadhim^g, M. Jadan^h,i

Chalcogenide Letters, Vol.22, No.1, pp. 77-89, 2025, DOI:10.15251/CL.2025.221.77

Abstract CdS, and CdS: Al were grown onto glass bases via Chemical spray pyrolysis (CSP). XRD analysis of CdS films indicates a polycrystalline hexagonal structure with a predominant orientation of the (101) plane. The strain decreased from 28.55 to 25.66, and the grain size of undoped CdS films was around (13.51–12.14) nm as Al content rose. According to the results of AFM, CdS, CdS:2% Al, and CdS:4% Al all exhibit smooth surfaces with decreasing particle size in the range of (78.46), (69.75), and (42.20) nm, respectively. The root-mean-square roughness values for CdS and CdS:4% Al were… More >

R. I. Jasim^a, E. H. Hadi^a, A. A. Mansour^b, S. A. Hussein^c, S. S. Chiad^a,*, N. F. Habubi^d, Y. H. Kadhim^e, M. Jadan^f,g

Chalcogenide Letters, Vol.22, No.1, pp. 43-55, 2025, DOI:10.15251/CL.2025.221.43

Abstract Using chemical bath deposition (CBD) methods and various molarities, nanostructured CdS thin films were developed. XRD assured that these films were cubic polycrystalline, containing larger grains as the solution's concentration of cadmium ions increased. Dislocation density values dropped from 79.32 to 62.90 as a result, nevertheless. Also, the strain is lowered from 30.88 to 27.50. AFM results demonstrate that these films suffer a decrease in the value of average particle size, root mean square, and roughness with the molarity concentration. SEM images show CdS thin films at various molarities (0.10, 0.15, 0.20) M, indicating reduced More >

A. M. Abdel-Daiem^a, M. Ahmed^a,, E. R. Shaaban^b,

Chalcogenide Letters, Vol.22, No.2, pp. 131-142, 2025, DOI:10.15251/CL.2025.222.131

Abstract This paper investigates the impact of reduced graphene oxide (rGO) addition on the structural and optical properties of ZnS nanocomposites. The study began with the synthesis of graphene oxide (GO) through the oxidation of natural graphite powder. This process involved using potassium permanganate in a mixture of sulfuric and phosphoric acids, maintained at 50°C for 48 hours. The reaction was terminated using hydrogen peroxide, followed by purification and drying, yielding 1.5 grams of GO. The preparation of ZnS/GO nanocomposites involved dissolving zinc acetate and varying quantities of GO in water, adjusting the pH, and incorporating… More >

R. Rajeev^a,b,*, C. M. S. Negi^a

Chalcogenide Letters, Vol.22, No.5, pp. 469-480, 2025, DOI:10.15251/CL.2025.225.469

Abstract Cobalt-doped cadmium sulphide nanoparticles of semiconductors (CDs: Co NPs) were synthesised using various cobalt concentrations utilising a microwave-assisted approach. Debye-Scherer equation revealed the nanoparticles' size range to be between 2 and 4 nm. Diffraction from X-rays revealed a zinc mix structure. According to the structure in the optical bandgap energies indicates that, doping has systematically raised the bandgap energy as the doping concentration raises. The composition of the nanoparticles which was verified by EDAX, validated the effective integration of cobalt into the CdS structure. The detection of different functional and vibrational groups was performed at More >

T. J. Li^a,*, Y. Yue^a, L. P. Qu^a, H. J. Hou^b, S. H. Fan^b, H. L. Guo^c

Chalcogenide Letters, Vol.22, No.6, pp. 529-540, 2025, DOI:10.15251/CL.2025.226.529

Abstract This work uses the theoretical method to calculates and analyzes a series of properties of the crystal such as electronic structure, optical properties, and elastic constants. The results show that the optimized structural parameters of the CuInSe₂ is close to the experimental values. The analysis of various parameters of optical properties shows that the crystal is transparent for incident light with energy greater than 25 eV. Furthermore, the calculation of elastic constants reveals that CuInSe₂ exhibits significant anisotropy and possesses excellent ductility. More >

D. M. A. Latiff, B. A. Ahmed, S. M. Ali, K. A. Jasim^*

Chalcogenide Letters, Vol.22, No.6, pp. 521-528, 2025, DOI:10.15251/CL.2025.226.521

Abstract In this paper, the effect of sulfur substitution by arsenic on the structural, optical properties of thin films of the trivalent chalcogenide Se₆₆S_44-xAs_x at different concentrations (where x = 0, 8, 16, and 24 at %) was studied. Thin films with a thickness of (300±10 nm) were prepared using thermal evaporation of bulk samples. Structural examinations were performed using XRD and AFM techniques. All the studied film samples were amorphous in structure and the intensity of the crystalline parts was high in the range of 10-40. Also, in Atomic Force Microscopy (AFM). It was found that… More >