Chalcogenide Letters最新文献_第3页

Structural, electronic, elastic, and optical properties of chalcogenide perovskite SrZrS3 under ambient and high-pressure conditions 硫系钙钛矿SrZrS3在环境和高压条件下的结构、电子、弹性和光学性质

4区材料科学

Chalcogenide Letters Pub Date : 2023-09-20 DOI: 10.15251/cl.2023.208.619

M. L. Han, Y. Hu

引用次数: 0

Rational design of MoS2 nanosheet/ MoS2 nanowire homostructures and their enhanced hydrogen evolution reaction 二硫化钼纳米片/二硫化钼纳米线的合理设计及其增强析氢反应

4区材料科学

Chalcogenide Letters Pub Date : 2023-09-20 DOI: 10.15251/cl.2023.209.639

L. Yang, X. Q. Yuan, R. Y. Liu, R. X. Song, Q. W. Wang, W. Liang

引用次数: 0

The effects of thickness and doping concentration on the solar efficiency of GaN/p-Si based solar cells 厚度和掺杂浓度对GaN/p-Si基太阳能电池太阳能效率的影响

4区材料科学

Chalcogenide Letters Pub Date : 2023-09-20 DOI: 10.15251/cl.2023.209.629

N. S. Khairuddin, M. Z. Mohd Yusoff, H. Hussin

引用次数: 0

First-principle investigations of structural and optical properties of CdSe CdSe结构和光学性质的第一性原理研究

4区材料科学

Chalcogenide Letters Pub Date : 2023-09-20 DOI: 10.15251/cl.2023.208.609

Y. Benkrima, D. Belfennache, R. Yekhlef, A. M. Ghaleb

{"title":"First-principle investigations of structural and optical properties of CdSe","authors":"Y. Benkrima, D. Belfennache, R. Yekhlef, A. M. Ghaleb","doi":"10.15251/cl.2023.208.609","DOIUrl":"https://doi.org/10.15251/cl.2023.208.609","url":null,"abstract":"Our calculations have been done using the density functional theory (DFT). In fact, we were able to find the optical and structural properties of CdSe compound of cubic phase by using the previously mentioned theory. The pseudo-potential linearised augmented plane wave (PP-LAPW) method is applied to solve the Kuhn-Sham equations. The results are obtained using Generalized Gradient Approximation according to the scheme described by Perdew-Burke-Ernzerhof (GGA-PBE) as a types of exchange-correlation. Convergence of energy and charge has been verified, this is for the study of properties basic state of the compound. It was found that the calculated initial cell constants at equilibrium are very close to previous theoretical and experimental works. The electronic properties of the energy band structure and the total density of states confirmed that the CdSe compound has a direct energy gap estimated at 1.52 eV, which is very close to the previous applied results. The general results of the calculated optical properties including the imaginary part of the dielectric constant, absorption coefficient, reflectivity, optical conductance, refractive index, and extinction coefficient of cubic phase CdSe under the imposed conditions are discussed and compared with previous works. Through our results, new and important optical properties of the compound were highlighted, and then determine the areas of its use in the appropriate technological industries.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":"68 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136377810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Characterization of new hybrid composites of PVA-Fe2O3-CdZnS 新型PVA-Fe2O3-CdZnS杂化复合材料的表征

IF 1 4区材料科学

Chalcogenide Letters Pub Date : 2023-08-01 DOI: 10.15251/cl.2023.208.599

K. A. Mohammed, N. A. Al Hasan, L. R. N. H. J., D. S. Abdul-Zahra, Y. D. Dwivedi, K. H. Salem, M. K. Agarwal, R. Zabibah, M. A. Alkhafaji

引用次数: 0

Annealing effect on the photocurrent response of SnS thin films prepared by the chemical spray pyrolysis method 退火对化学喷雾热解法制备SnS薄膜光电流响应的影响

IF 1 4区材料科学

Chalcogenide Letters Pub Date : 2023-08-01 DOI: 10.15251/cl.2023.208.549

D. Dekhil, H. Guessas, A. Nouri, S. Ullah

{"title":"Annealing effect on the photocurrent response of SnS thin films prepared by the chemical spray pyrolysis method","authors":"D. Dekhil, H. Guessas, A. Nouri, S. Ullah","doi":"10.15251/cl.2023.208.549","DOIUrl":"https://doi.org/10.15251/cl.2023.208.549","url":null,"abstract":"SnS thin films were synthesized using the spray pyrolysis method and then annealed at 350, 400, and 450°C. According to the crystallographic analysis, the obtained SnS thin films crystallized in the polycrystalline orthorhombic system. The grains measured 47, 66, and 37 nm for the samples annealed at 350, 400, and 450°C, respectively. SEM and AFM images indicate that the samples’ surfaces were completely covered. Thus, the grains of SnS nanostructures have a granular-like shape and vary in size depending on the annealing temperatures. The transmittance measurement shows that annealing the sample at 400 °C extends and improves its absorption range to 600 nm. The resulting band gap energies were 1.60 eV, 1.30 eV, and 2.55 eV for annealing at 350 °C, 400 °C, and 450 °C, respectively. Hall Effect measurements reveal that annealing SnS films at 400 °C enhances their electrical properties. The values of carrier mobility, conductivity, and carrier concentration are 1.678 ×105 Cm2/Vs, 9.756 ×10-5 Ω-1 cm-1 , and 3.168 ×1010Cm-3 , respectively. Additionally, the photocurrent response validates that all samples annealed at 350, 400, and 450 °C have p-type conductivity, with values of 13, 28, and 2.5 µA/Cm2, respectively. The best conductivity, carrier mobility, and photocurrent values are obtained by annealing at 400 °C. Therefore, SnS thin films can be an interesting choice for absorber layer applications in photovoltaic systems.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47023421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

First-principles calculation of electronic structure, chemical bonding and optical properties of β-AgBiS2 β-AgBiS2的电子结构、化学键和光学性质的第一性原理计算

IF 1 4区材料科学

Chalcogenide Letters Pub Date : 2023-08-01 DOI: 10.15251/cl.2023.208.579

Y. Zhang, J. Guo, Y. Zhang, Q. Y. Y. W., S. R. Zhang, Q. Lai

引用次数: 0

Structural and device fabrication of 2D-MoS2 thin film 2D-MoS2薄膜的结构与器件制备

IF 1 4区材料科学

Chalcogenide Letters Pub Date : 2023-08-01 DOI: 10.15251/cl.2023.208.573

R. Singh, S. Kimothi, M. Singh, U. Rani, A. Verma

引用次数: 0

Photoluminescence properties of Ba0.7Sr0.3TiO3:Sm3+ modified K0.5Na0.5NbO3 perovskite oxide ceramics Ba0.7Sr0.3TiO3:Sm3+改性K0.5Na0.5NbO3钙钛矿氧化物陶瓷的光致发光性能

IF 1 4区材料科学

Chalcogenide Letters Pub Date : 2023-08-01 DOI: 10.15251/cl.2023.208.563

K. Sun, Z. Liu, R. X. Wang, X. Ling, J. W. Sun

引用次数: 0

Systematic investigation of magneto-electronic, structural, thermoelectric and optical properties of Nd2MgX4 (X = S, Se) compounds Nd2MgX4 (X = S, Se)化合物的磁电子、结构、热电和光学性质的系统研究

IF 1 4区材料科学

Chalcogenide Letters Pub Date : 2023-08-01 DOI: 10.15251/cl.2023.208.559

M. Fida, S. Aldaghfag, M. Yaseen, M. Ishfaq

{"title":"Systematic investigation of magneto-electronic, structural, thermoelectric and optical properties of Nd2MgX4 (X = S, Se) compounds","authors":"M. Fida, S. Aldaghfag, M. Yaseen, M. Ishfaq","doi":"10.15251/cl.2023.208.559","DOIUrl":"https://doi.org/10.15251/cl.2023.208.559","url":null,"abstract":"The structural, magnetic, optoelectronic, and thermoelectric (TE) characteristics of Nd2MgX4 (X = S, Se) are determined by utilizing the density functional theory (DFT) based full potential linearized augmented plane wave (FP-LAPW) method as employed in WEIN2k code. The exchange and correlation energies along with Coulomb interactions are brought into consideration by employing local density of approximation with Hubbard model (LDA+U). Tolerance (τ) factor and formation enthalpy were utilized to confirm the stability of both spinels. τ values are 0.70 and 0.68, and formation enthalpy values are (ΔHf) are -3.34 eV and -2.19 eV for Nd2MgX4 (X = S, Se), respectively. For Nd2MgX4 (X = S, Se) metallic behavior is found in spin up case while considerable bandgaps are found in spin down with half metallic bandgap (Eg) values of 1.82 and 1.26 eV (in spin down), correspondingly. The calculated magnetic moment for Nd2MgX4 (X = S, Se) are 12.0008 μB and 12.0003 μB, respectively. Furthermore, optical features including refractive index n(ω), dielectric constant 𝜀𝜀(𝜔𝜔), reflectivity R(ω), optical conductivity σ(ω), absorption coefficient α(ω) and extinction coefficient k(ω) are computed. The maximum calculated real part of dielectric constant 𝜀𝜀1(𝜔𝜔) values for Nd2MgX4 (X = S, Se) are 9.2 and 10.8, respectively. For Nd2MgX4 (X = S, Se), σ(ω) has maximum value of 7642.9 at 6.6 and 7592.5 (Ω cm)-1 at 5.99 eV, respectively. The various temperature dependent thermoelectric (TE) parameters along with figure of merit (ZT) are determined to get full insight into the TE behavior for both compounds by using BoltzTraP code. The computed ZT value for Nd2MgSe4 is 0.81 at 800 K while Nd2MgS4 has ZT value of 0.80 at 800 K. Results showed that both spinels have potential in spintronics and in cooling industries.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43253330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0