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  • Open Access

    ARTICLE

    First-Principles Study of the Structural, Mechanical, Lattice Dynamic, and Thermodynamic Properties of CuBS2 Semiconductor

    Dezi Li1, Linhua Xie2, Shunru Zhang1,*

    Chalcogenide Letters, Vol.23, No.6, 2026, DOI:10.32604/cl.2026.082939 - 02 July 2026

    Abstract Using first principles calculations, we have systematically studied the structural, elastic, mechanical, lattice dynamic, and thermodynamic properties of the CuBS2 semiconductor. The calculated structural parameters are in good agreement with the experimental values. The obtained elastic constants confirm that the compound is mechanically stable. The B/G ratio of CuBS2 indicating that this crystal possesses ductile characteristics. Using the ELATE software, 3D and 2D visualizations of anisotropic elastic properties, namely, the maximum and minimum values of Young’s modulus (E), shear modulus (G), linear compressibility (β), and Poisson’s ratio (ν), have been analyzed. Furthermore, we calculated the elastic anisotropy index (AU, AB,… More >

  • Open Access

    ARTICLE

    Synthesis and Characterization of Pulsed Laser Deposited CuxZn1−xS Thin Films Nanocomposite for Photosensor Application

    Hanaa I. Mohammed1, Eman M. Nasir2,*, Iqbal S. Naji2

    Chalcogenide Letters, Vol.23, No.6, 2026, DOI:10.32604/cl.2026.079657 - 02 July 2026

    Abstract Thin films of CuxZn1−xS nanocomposite with varying copper content (x = 0.3, 0.5, and 0.7) were successfully synthesized by the pulsed laser deposition (PLD) technique from their fabricated powders by the precipitation method for optoelectronic applications. The impact of Cu content on the film’s structural, morphological, optical, and electrical characteristics was investigated. Elemental composition analyses indicated that thin CZS films consisted only of their constituent elements and were free of any noted impurities. XRD patterns demonstrated that all as-grown thin films were polycrystalline in nature and adopted various planes and phases of CuS and ZnS binary… More >

  • Open Access

    ARTICLE

    Investigations of Structural, Thermal and Compressive Strength of Selenium the Tellurium-Cadmium System

    R. Amin1,*, M. Rashad2,*, A. A. Abu-Sehly3, Taymour A. Hamdalla2, Ahmed S. Elshimy4

    Chalcogenide Letters, Vol.23, No.6, 2026, DOI:10.32604/cl.2026.077357 - 02 July 2026

    Abstract Cadmium (Cd) doping has enhanced the mineral properties, glass mesh, and movement traits of the Se90Te10 glassy alloy. The (Se90Te10)95Cd5 alloy has a strength 0.032 kN, accompanied by limited ductility, and displays brittle fracture behavior typical of amorphous chalcogenide glasses. (DSC) at varying heating rates was employed to examine the crystallization kinetics in bulk Se90Te10 and (Se90Te10)95Cd5 compositions; X-ray diffraction analysis was utilized to identify the crystalline structure of Se90Te10 and (Se90Te10)95Cd5, confirming the non-crystalline nature of both materials. Various kinetic frameworks were developed utilizing activation energies for glass transition and crystallization processes. “The Kissinger equation” was employed More >

  • Open Access

    ARTICLE

    Mixed Salt-Assisted Growth of Large-Size Ultrathin SnS2 Nanosheets and Their Anisotropy Study

    Yulong Lian1, Ruiqiang Wang1, Ziyan Ding1, Jinyang Liu1,2,3,*

    Chalcogenide Letters, Vol.23, No.5, 2026, DOI:10.32604/cl.2026.083268 - 02 June 2026

    Abstract The morphological regularity, thickness uniformity, and size controllability of two-dimensional materials play a crucial role in regulating their physicochemical properties. However, achieving a synergistic balance among these three factors remains a key challenge in the field. In this study, through a systematic investigation of 36 salt-assisted growth systems, we discovered that CsCl promotes the lateral growth of SnS2, while KI optimizes the crystal morphology. Using a CsCl/KI mixed salt system, we successfully grew triangular, ultrathin, large-area SnS2 nanosheets with a size exceeding 200 μm and a thickness of only 1.8 nm. Angle-resolved polarized Raman spectroscopy (ARPRS)… More >

  • Open Access

    ARTICLE

    Zn Vacancy-Regulated Zn0.4Cd0.6S for Enhanced Charge Separation and Boosted Photocatalytic H2O2 Generation

    Yuanyi Zhang, Yang Gu, Yuxin Lan, Zhenyu Wang, Wei Yan, Yingcong Wei, Jing Xu*

    Chalcogenide Letters, Vol.23, No.5, 2026, DOI:10.32604/cl.2026.082986 - 02 June 2026

    Abstract Photocatalytic H2O2 synthesis from O2 is a green and environmentally friendly route. However, due to the limitations of quick recombination of photogenerated electrons and limited O2 activation ability, photocatalytic reactions often exhibit low efficiency. In this study, Zn vacancy-engineered Zn0.4Cd0.6S (ZnV-ZCS) photocatalysts were successfully constructed via a hydrothermal strategy using L-cysteine as a coordination agent. The optimized ZnV-ZCS-10 catalyst achieves an impressive H2O2 production rate of 44.39 mmol/g within 1 h under 425 nm irradiation, approximately 2.3 times higher than that of pristine Zn0.4Cd0.6S (ZCS). Structural characterization and cycling performance tests confirm that the introduction of Zn vacancies does More > Graphic Abstract

    Zn Vacancy-Regulated Zn<sub>0.4</sub>Cd<sub>0.6</sub>S for Enhanced Charge Separation and Boosted Photocatalytic H<sub>2</sub>O<sub>2</sub> Generation

  • Open Access

    ARTICLE

    Design and Optimization of a Novel Double-Heterojunction Lead-Free Cs2BiAgI6 Perovskite Solar Cell with PCBM/C60 Bilayer ETL and CdTe HTL: Numerical Investigation

    S. D. Al-Sahafi*

    Chalcogenide Letters, Vol.23, No.5, 2026, DOI:10.32604/cl.2026.082364 - 02 June 2026

    Abstract In this study, a lead-free double perovskite solar cell structure based on Cs2BiAgI6 was simulated and optimized to enhance photovoltaic performance. The device architecture follows the configuration: ITO/PCBM/C60/Cs2BiAgI6/CdTe/Au. The thicknesses of the electron transport layer (ETL), absorber layer, and hole transport layer (HTL) are systematically optimized to evaluate their impact on key performance parameters. The results indicate that optimal performance is achieved with 600 nm thicknesses for all ETLs and HTL, and 2 μm for the Cs2BiAgl6 absorber. Under these conditions, the device exhibits a short-circuit current density of 23.23 mA/cm2, an open-circuit voltage of 1.08 V, More >

  • Open Access

    ARTICLE

    Annealing-Induced Structural and Optical Modifications in SnS Thin Films and Their Impact on CO2 Gas Sensing Performance

    Seham Hassan Salman1, Sarmad Mahdi Ali1, Hawraa Hadi2,*, Dhufr Hadi3

    Chalcogenide Letters, Vol.23, No.5, 2026, DOI:10.32604/cl.2026.081302 - 02 June 2026

    Abstract Films of (SnS) with a thickness of 400 nm were deposited by the thermal evaporation technique to investigate the influence of annealing temperature on their Physics and CO2 gas-sensing characteristics. The deposited films were annealed at 200, 300, and 400°C. Structural characterization was performed using XRD, and the obtained results revealed that all samples possessed an orthorhombic crystal structure with a preferred orientation (301). The annealing treatment significantly improved the crystallinity of the films and reduced structural defects and lattice strain. Surface morphology investigations were performed using atomic force microscopy (AFM), which revealed noticeable modifications in… More >

  • Open Access

    ARTICLE

    Photoelectric Properties of Amorphous Selenium Thin Films Deposited by Thermal Evaporation

    Zhadyra Toreniyaz1, Guzal Ismailova1, Oleg Prikhodko1, Zhasulan Nakysbekov1, Tilek Kuanyshbekov2, Nurkadam Tolep1, Dmitry Terekhov3, Zhandos Tolepov1,*

    Chalcogenide Letters, Vol.23, No.5, 2026, DOI:10.32604/cl.2026.081101 - 02 June 2026

    Abstract Amorphous selenium (a-Se) thin films were deposited by vacuum thermal evaporation and investigated in planar photoconductive structures to evaluate their optical and photoelectrical properties in the low-field regime. SEM analysis showed continuous film coverage with a thickness of about 250 nm. Raman spectroscopy and X-ray diffraction confirmed the amorphous structure of the as-deposited films and the formation of trigonal crystalline selenium after annealing. Optical analysis based on transmission and reflectance spectra yielded an optical band gap E g = 1.96   eV and an Urbach energy E U = 0.083   eV ,… More >

  • Open Access

    ARTICLE

    First-Principles Insights into the Structural and Physical Properties of AgSbS2

    Tianjing Li1,*, Min Yao1, Wei Li1, Yue Yang1, Luping Qu1, Haijun Hou2, Hongli Guo3

    Chalcogenide Letters, Vol.23, No.5, 2026, DOI:10.32604/cl.2026.080386 - 02 June 2026

    Abstract This study focuses on monoclinic system AgSbS2, employing first-principles methods to calculate the structural, mechanical, optical, and thermodynamic properties. Specifically, geometry optimization yields a stable atomic structure with optimized lattice constants (a = 12.82 Å, b = 4.41 Å, and c = 13.19 Å). Furthermore, electronic structure analysis identifies AgSbS2 as a direct bandgap semiconductor with a bandgap of 1.456 eV, where the valence and conduction bands primarily originate from Ag-4d, S-3s, and Sb-5p states. Regarding the elastic properties, the calculated elastic constants, combined with Pugh’s B/G criterion, reveal excellent ductility. As for the optical properties, the static More >

  • Open Access

    Review of the Application of Tellurium and Tellurides in Sodium Metal Batteries

    Shan Yuan1,2, Fei Wang2,*, Jinping Zhang2,*, Yuxin Jiang2, Kaibo Gu2, Chenhao Qiao2, Yutong Bai2, Jie Yu2, Quan Chen1, Dedi Han3

    Chalcogenide Letters, Vol.23, No.4, 2026, DOI:10.32604/cl.2026.082805 - 09 May 2026

    Abstract Sodium metal batteries stand as a highly promising electrochemical energy storage system; however, their commercialization is severely impeded by challenges such as anode dendrite formation, the shuttle effect of highly reactive intermediates at the cathode, electrode volume expansion, and interfacial instability. Owing to their high electronic conductivity, high theoretical specific capacity, and superior sodiumphilic affinity, tellurium and its tellurides have emerged as pivotal functional materials for enhancing the performance of sodium metal batteries. This study reviews the advancements in their applications within sodium metal batteries, elaborates rational design strategies carbon-based composites, alloying, and heterostructure construction More >

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