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Xuecai Han, Yilin Tong, Jiaqi Bao, Kan Yu^*
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.075604 - 26 January 2026
Abstract Chalcogenide glasses in the Ge-Se-Te system possess wide infrared transparency and strong optical nonlinearity, yet the microscopic origin of their vibrational behavior remains unclear. Using ab initio calculations, we analyzed Raman-active modes in GeSe_xTe_4−x (x = 0–4) tetrahedra, edge-sharing tetrahedra, and ethane-like Ge₂Se_2xTe_6−2x (x = 0–3) clusters. For GeSe_xTe_4−x (x = 0–4) tetrahedra, the symmetric stretching vibrations exhibit two families: Ge-Se-dominated and Ge-Te-dominated modes, both showing monotonic redshifts as the number of same-type bonds increases. In edge-sharing tetrahedra, the Ge-Ch-Ge-Ch (Ch = Se or Te) four-membered-ring breathing frequency decreases with higher Te content, and a comparable softening is More >

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Junyan Tian¹, Qingyuan Zhang¹, Lili Wu^1,2,*, Xia Hao^1,2, Guanggen Zeng¹, Wenwu Wang¹, Jingquan Zhang^1,2
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.076362 - 26 January 2026
Abstract The incorporation of the Se element in CdTe solar cells is critical, while the low bandgap CdSe_xTe_1−x, formed by the interdiffusion of CdTe and CdSe during device preparation, can promote the carrier lifetime. Different window layers formed by CdSe w/o MZO or CdS have different Se distributions. This paper systematically evaluates the influence of four types of window layers (CdSe, CdS/CdSe, MZO/CdSe and MZO/CdS/CdSe) on the performance of CdTe solar cells, and focuses on the correlation between the window layers and the Se distribution characteristic, carrier recombination mechanism, and device efficiency. The results show that CdSe… More >

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Dehui Li^1,#, Yiming Guo^1,#, Tao He¹, Binbin Zhang¹, Haixia Yu^2,*, Lingkun Meng^1,*
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.075922 - 26 January 2026
Abstract Quinary Cu₃FeInSnS₆ (CFITS) nanoplates were synthesized through a synergistic dual-cation substitution strategy using a hot-injection method, where oleylamine and 1-dodecanethiol served as coordinating ligands to guide two-dimensional growth. The nanocrystals were characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and absorption spectroscopy. Structural analysis confirms that the CFITS nanoplates crystallize in a phase-pure cubic zinc-blende structure (space group F-43 m) without detectable secondary phases. Optical measurements reveal that the nanoplates exhibit broad and intense visible-light absorption with a direct bandgap of 1.51 ± 0.03 eV, suitable for photovoltaic applications. Under standard AM 1.5 G… More >

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Yunpeng Wen^1,*, Bingyang Ke², Junrong Ding³
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.076587 - 26 January 2026
Abstract This study reports an active learning (AL)-guided strategy to optimize the sulfurization–selenization processing conditions of Sb₂(S,Se)₃ thin-film photovoltaic absorbers for enhanced power conversion efficiency (PCE). By coupling Gaussian process modeling with iterative experimental feedback, we explored 20 targeted annealing conditions across the full compositional spectrum (x = 0–1) and identified an optimal S/(S + Se) ratio of 0.40 (x = 0.60), which yielded a band gap (Eg) of ~1.34 eV, close to the theoretical Shockley–Queisser optimum. The optimized process employed a controlled two-step 420°C anneal with sequential H₂Se→H₂S exposure, which produced large plate-like grains (300–500 nm)… More >

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Xiaohan Zhang¹, Han Song^2,*, Maoyuan Yin³, Xiaoli Rong²
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.076594 - 26 January 2026
Abstract We report the rational design and synthesis of a novel trifunctional catalyst comprising atomically dispersed copper single-atom (Cu-SAC) sites and Cu₉S₅ nanoparticles co-loaded onto a highly crystalline carbon nitride (CCN) support for the photothermal conversion of methane to ethanol. The distinct active sites operate in synergy: the Cu-SAC sites, coordinated to the nitrogen-rich CCN framework, serve as highly efficient centers for the initial activation of methane’s C-H bond to form methyl radicals, while the plasmonic Cu₉S₅ nanoparticles act as dedicated sites for the subsequent C-C coupling and partial oxidation steps, driven by a combination of photochemical More >

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Abla Guechi¹, Djohra Dekhil², Abdelhak Nouri^2,*
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.076586 - 26 January 2026
Abstract This work uses numerical modeling in SCAPS-1D to examine the efficiency analysis of a solar cell based on SnS. The power conversion efficiency (PCE) is limited to 24.5% because of incomplete photon absorption in the absorber layer (SnS) and carrier recombination. To increase the absorption window, facilitate charge mobility, and suppress bulk recombination at the rear contact, the absorbent film was divided up into three sublayers with graded band gaps of 1.1 eV, 1.2 eV, and 1.3 eV. Furthermore, the sublayers’ linear gradient doping improved charge collection while simultaneously lowering recombination at the interface. A… More >

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Hosam O. Elansary¹, Naveed A. Noor², Syed M. Ahmad³, Humza Riaz³, Sohail Mumtaz^4,*
Chalcogenide Letters, Vol.23, No.1, 2026, DOI:10.32604/cl.2026.076592 - 26 January 2026
Abstract Ferrites are remarkable compounds for energy harvesting and spintronic applications. For this purpose, mechanically stable, thermodynamic, photo-catalytic, and ferromagnetic characteristics of ferrites Al₂Mn(S/Se)₄ have been investigated significantly using PBEsol-GGA and modified Becke Johnson potential (TB-mBJ). In order to determine structural stability, we calculate formation energy (E_f) and Born stability criteria that confirm the structural stability of the Al₂Mn(S/Se)₄. 2D and 3D plots of Poisson’s ratio (υ) and linear compressibility are also used to indicate the stability of these materials. Additionally, thermodynamic characteristics reveal that both ferrites are stable. Spin-polarized electronic properties indicate that both ferrites are ferromagnetic More >

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