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N. A. Ismayilova^a,b,*, S. G. Asadullayeva^a,c,d, E. K. Kasumova^e, Kh. A. Hidiyev^a, N. N. Hashimova^c, J. A. Guliyev^a
Chalcogenide Letters, Vol.21, No.7, pp. 493-498, 2024, DOI:10.15251/CL.2024.217.493
Abstract DFT calculation is used to investigate the structural, electronic, optical, and elastic properties of AgCuSe and AgCuS. The calculations are performed using the ATK with generalized gradient approximation (GGA) in combination with Hubbard U correction parameters for both structures. The calculated band gap energies and partial density of state reveal that AgCuS has semiconductor properties unlike this AgCuSe has a metallic nature. The optical properties, real and imaginary parts of dielectric function are obtained for the energy range of 0 to 5 eV. Elastic stiffness coefficients (Cij), bulk modulus (B), shear modulus (G), and Young modulus (E) More >

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J. Liu^a, Y. X. Liu^b, J. N. Ding^b, W. Yan^b, Y. C. Wei^b, J. Xu^b,*
Chalcogenide Letters, Vol.21, No.7, pp. 499-511, 2024, DOI:10.15251/CL.2024.217.499
Abstract With society's rapid progress, there is an increasing need for electricity among individuals, but the prevailing source of electricity is still mainly obtained through the burning of nonrenewable fossil fuels, which are not renewable and pose serious environmental hazards. Lithium-ion batteries are used widely for excellent rechargeable capabilities and high energy density. Recently, researchers have become increasingly interested in transition metal sulfides owing to their cost-effectiveness and remarkable specific capacity. However, their commercialization has been hindered by the expansion of material volume and low electrical conductivity during charging and discharging. We have successfully designed and More >

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L. R. Gahramanli^a,b,*, S. Bellucci^a, M. B. Muradov^b, M. La Pietra^a, G. M. Eyvazova^b, C. V. Gomez^a, J. Bachmann^c
Chalcogenide Letters, Vol.21, No.7, pp. 513-527, 2024, DOI:10.15251/CL.2024.217.513
Abstract A new type of Ag₂S-CdS/Ag/GNP nanocomposite material was successfully synthesized in the presented work. The structural and physical properties of compounds were studied separately and together. Ag₂S-CdS/Ag/GNP nanocomposite materials were studied by Xray diffraction (XRD), Ultraviolet-Visible (UV-Vis), Fourier Transform Infrared (FTIR), Raman spectroscopy and Scanning Electron Microscopy (SEM). Based on the results, Ag nanowires (NWs) were successfully synthesized, and then it was determined that during the hybridization process, two phases of acanthite Ag₂S and the cubic crystal system of Ag₂O were formed. Then, Ag₂S-CdS NWs were formed from mixed monoclinic Ag₂S and hexagonal CdS. In the absorption spectrum… More >

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A. Ouahab^a,*, L. Boudaoud^a, N. Boudaoud^b, H. Bradai^a, N. Hachemi^a, S. Menezla^c, N. Bounefla^a
Chalcogenide Letters, Vol.21, No.7, pp. 529-541, 2024, DOI:10.15251/CL.2024.217.529
Abstract The structural and electronic properties of (CdS, CdSe, and CdTe) compounds in rock-salt, zinc-blend, and wurtzite crystal structures were calculated using ab initio calculation. In addition to these properties, the thermodynamic properties were added advantage to clarify their comportment as temperature variation. Under the context of density functional theory DFT, the calculations were carried out using the full potential linearized augmented plane wave FP-LAPW approach. The generalized gradient approximations GGA-PBE established by Perdew-Burke-Ernzerhof and the local density approximation LDA and modified Bucke Jhonson have both been employed for the exchange-correlation energy and related potential MBJ.… More >

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J. T. Jia^a,b, X. H. Yang^a,b,*, L. W. Wang^a,b
Chalcogenide Letters, Vol.21, No.7, pp. 543-556, 2024, DOI:10.15251/CL.2024.217.543
Abstract Chalcogenide perovskites are promising lead-free, stable absorber materials for solar cells. This work reports the synthesis of orthorhombic phase pure CaSnS₃ thin films by facile low temperature sulfurization of solution-processed CaSnO₃ oxide precursors. Structural characterization confirms complete anion exchange to produce crystalline CaSnS₃ films with vertically aligned rod-like grains. Optical studies show strong visible light absorption with direct bandgap of 1.72 eV, ideal for photovoltaics. Electrical measurements indicate p-type conductivity with hole concentration of 1.2×10¹⁷ cm^-3 and mobility around 8 cm2V-1s-1 at room temperature. First-principles DFT calculations corroborate the p-type electronic structure. Prototype CaSnS3 solar cells are fabricated More >

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Y. Qachaou^a,*, O. Daoudi^b, I. Jellal^a, A. Fahmi^a, M. Lharch^a, A. Qachaou^a, A. Raidou^a, M. Fahoume^a
Chalcogenide Letters, Vol.21, No.7, pp. 557-565, 2024, DOI:10.15251/CL.2024.217.557
Abstract The (SnS) thin films were prepared by Successive Ionic Layer Adsorption and Reaction (SILAR), a versatile and simple method. The cationic and anionic solutions SnCl₂.2H₂O and Na₂S.9H₂O respectively were used as precursor materials, which will be deposited on glass substrates to study the effect of rinsing temperature on the properties of our thin films. The structural, morphological, and optical properties were investigated by using X-ray diffraction, Energy Dispersive X-ray analysis (EDX), Scanning Electron Microscopy (SEM) and spectrophotometer. X-ray Diffraction (XRD) patterns indicated that the deposited SnS thin films have an orthorhombic crystal structure. Uniform deposition of More >

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S. Kumar^a, A. Alam^b, K. P. Tiwary^c,*
Chalcogenide Letters, Vol.21, No.7, pp. 567-574, 2024, DOI:10.15251/CL.2024.217.567
Abstract The development of CdZnS thin films using the chemical bath deposition process in nonaqueous media is a technological challenge. In this work, 75 millilitres of ethylene glycol and ethanol (1:2 ratios) were used to develop a CdZnS thin film on ITO and FTO glass substrates using cadmium acetate, zinc sulphate, and thiourea. The ideal bath temperature was kept at 130℃ and the anneal temperature of the film that had been deposited in the air was maintained at 350℃. The films have been examined using FTIR, WCA, FESEM, and XRD. XRD studies reveal that CdZnS films… More >

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K. Turmanova^a, O. Prikhodko^a, Zh. Tolepov^a, S. Maksimova^a, N. Manabaev^b, N. Almas^c,*
Chalcogenide Letters, Vol.21, No.7, pp. 575-581, 2024, DOI:10.15251/CL.2024.217.575
Abstract In this study, we used Raman spectroscopy to compare the local structure of Ge2Sb2Te5 (GST) thin films with thicknesses of 90 nm and 271 nm that were crystallized through thermal annealing and laser radiation (laser annealing) during the recording of Raman spectra in situ. We found that for all crystallized films, the position of the main peaks in the Raman spectra was almost the same, and their structure corresponded to a hexagonal close packed state. It is noteworthy that the full width at half maximum (FWHM) of the main peaks varies considerably depending on the More >

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