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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 >

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S. N. Garibova^1,2, M. E. Aliyev³, U. I. Ashurova⁴, L. C. Suleymanova⁴, A. M. Kerimova¹, S. A. Rzayeva¹, S. O. Guseynova¹, H. I. Novruzova¹, R. Z. Amirov¹, F. Sarcan⁵
Chalcogenide Letters, Vol.22, No.12, pp. 999-1008, 2025, DOI:10.15251/CL.2025.2212.999 - 03 December 2025
Abstract In this work, the electronic behavior of the chalcogenide semiconductor Ge₂Sb₂Te₅ was examined using a first-principles computational approach. The study was carried out within the density functional theory framework, where the spin-polarized generalized gradient approximation was applied through the Atomistix ToolKit software. A double-zeta polarized basis set formed the foundation of the calculations, while exchange–correlation interactions were treated using the Perdew–Burke–Ernzerhof functional. Sampling of the Brillouin zone was performed according to the Monkhorst–Pack method with a 2 × 2 × 2 k-point grid, ensuring accuracy through special-point integration. Atomic configuration optimization, also conducted in Atomistix ToolKit,… More >

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A. Ledesma-Juárez¹, J. F. Quintero-Guerrero², A. M. Fernández^1,*
Chalcogenide Letters, Vol.22, No.12, pp. 1009-1018, 2025, DOI:10.15251/CL.2025.2212.1009 - 06 December 2025
Abstract Indium sulphide (In₂S₃) has positioned itself as an environmentally friendly and efficient option compared to traditional CdS, used as a buffer layer in thin-film solar cells that use Cu(In,Ga)Se₂ (CIGS) as an absorbent material. This study provides a comparative analysis of two techniques for depositing thin films of In₂S₃: chemical bath deposition (CBD) and ultrasonic pyrolytic spraying. Their structural, morphological, compositional, and optical properties were evaluated. The films obtained by pyrolytic spraying, showed adequate crystallinity and uniformity. On the other hand, the films deposited by CBD had better stoichiometry (In2:S3 ≈ 40:60% at.) and higher bandgap values More >

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Open Access

ARTICLE

Naeemah A. Aswad, Ayed N. Saleh^*
Chalcogenide Letters, Vol.22, No.12, pp. 1019-1029, 2025, DOI:10.15251/CL.2025.2212.1019 - 06 December 2025
Abstract The SCAPS-1D software was used to simulate a p–CuI/n–InSe photodetector at 300 K with AM1.5G light. The simulation results showed that, with a quantum efficiency of 97.6% at 800 nm and a responsivity of 0.67 A/W, the ideal absorber layer thickness of 0.8 µm produced the highest overall performance. The specific detectivity was enhanced to 2.5 × 10¹⁵ cm·Hz^1/2 ·W⁻³ and the dark current was decreased by increasing the InSe carrier concentration from 1 × 10¹⁵ cm⁻³ to 3 × 10¹⁵ cm⁻³ . These findings show that the CuI/InSe heterojunction’s broadband response, strong responsivity, and low dark current make More >

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ARTICLE

Wenwen Zhang^*, Changgui Lei
Chalcogenide Letters, Vol.22, No.12, pp. 1031-1045, 2025, DOI:10.15251/CL.2025.2212.1031 - 08 December 2025
Abstract The development of quick, accurate, and field-deployable detection techniques is required due to the growing environmental pollution caused by heavy metals, especially lead (Pb) and cadmium (Cd). In this work, bismuth silver sulfide (AgBiS₂) nanoparticles are synthesized using a simple hydrothermal method aided by biomolecules, and they are used as a new modifier forPb(II) and Cd(II) simultaneous electrochemical detection using screen-printed electrodes (SPEs). After thorough material characterisation, pure, highly crystalline, quasi-spherical AgBiS₂ nanoparticles produced with an average diameter of around 20 nm. The AgBiS₂/SPE sensor demonstrated a threefold decrease in charge transfer resistance, indicating a considerable improvement More >

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ARTICLE

N. Masood¹, A. M. Toufiq^2,*, S. Magam^3,4, S. M. W. Ali², M. T. Qureshi^3,*
Chalcogenide Letters, Vol.22, No.12, pp. 1047-1053, 2025, DOI:10.15251/CL.2025.2212.1047 - 08 December 2025
Abstract Self-assembled highly hierarchical novel SnS₂ microflowers having acute edge nanopetals have been fabricated using a facile template-free hydrothermal growth technique utilizing Tin (II) chloride dihydrate (SnCl₂·2H₂O) and Sodium sulfide nonahydrate (Na₂S·9H₂O) as reaction reagents. Morphological analysis exhibits the flower-type SnS₂ microarchitectures ranging from 4 to 7 μm. The vibrational mode measured at A_1g = 314 cm⁻¹ confirms the existence of hexagonal phase SnS₂ using Raman spectroscopy. The electrochemical results suggest the promise of as-synthesized SnS₂ structures as a cathodic material in lithium-sulfur batteries. More >

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Hameed H. Ahmed¹, Thaer A. Mezher^2,*, Marwan R. Rashid³
Chalcogenide Letters, Vol.22, No.12, pp. 1055-1066, 2025, DOI:10.15251/CL.2025.2212.1055 - 10 December 2025
Abstract Laser ablation in liquids (LAL), a hygienic and effective method for creating high-purity nanomaterials, was used in this study to create cadmium sulfide (CdS) and silver oxide (Ag₂O) nanoparticles. The sputtering process was used to deposit the produced nanomaterials on porous silicon (PSi) substrates, and a number of assays were used to examine the samples’ structural, optical, and electrical characteristics. The CdS sample had a hexagonal crystal structure, according to X-ray diffraction (XRD) data, whereas the AgO sample had a cubic structure. The diameters of the nanoparticles in the two samples ranged from 22.64 nm for… More >

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M. Tariq^1,2,*, R. Ahmed^1,2, S. A. Tahir¹, B. U. Haq³, F. K. Butt⁴, M. W. Majeed¹, A. Hussain¹
Chalcogenide Letters, Vol.22, No.12, pp. 1067-1079, 2025, DOI:10.15251/CL.2025.2212.1067 - 11 December 2025
Abstract The two-dimensional IV-monochalcogenides, such as lead sulfide (PbS), lead selenide (PbSe), and lead telluride (PbTe), represent a promising class of materials known for their remarkable optoelectronic properties. The calculated binding energies for the puckered phase were –4.25 eV for PbS, –4.20 eV for PbSe, and –3.02 eV for PbTe, indicating strong stability in PbS and PbSe compared to PbTe. The electronic analysis showed that PbS exhibited a band gap of 1.01 eV, while PbSe had a slightly lower band gap of 0.70 eV. Under applied pressure, both materials demonstrated an increase in band gap, rising More >

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