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Effect of Al2O3-SiO2 film at the interface on the microstructure formation and oxidation resistance of MoSi2 coating on Nb-Si based alloy via slurry sintering method 界面上的 Al2O3-SiO2 膜对浆料烧结法在 Nb-Si 基合金上形成 MoSi2 涂层的微观结构和抗氧化性的影响
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177720
Hao Jiang, Yanqiang Qiao, Xiping Guo, Xiao Ma, Xi Nan
This study aims to improve the coating density by introducing Al2O3-SiO2 film as a diffusion barrier (DB) at the interface during the sintering process. The influence of the thickness of DB at the interface on the density, phase constituent and interface structure of the coating was studied. The results showed that the Al2O3-SiO2 film can effectively reduce the inward diffusion of Si, facilitating the densification of MoSi2 coating. Increasing the thickness of the DB correspondingly improves the diffusion blocking effect. Compared with the MoSi2 coating without DB, the area porosity of the coating with a 5 μm thick DB decreased from 26.8% to 15.8%. The oxide DB is discontinuously distributed at the interface. However, although the density of the coatings was markedly increased, severe cracking occurred when the diffusion barrier was excessively thick. The microstructure of coating without DB and coatings with 3 and 5 μm thick DB is generally similar, with the inter-diffusion zone (IDZ) consisting of Mo5Si3, Nb4Fe3Si5, and (Nb,X)5Si3 three layers. In contrast, the IDZ of coatings with 10 and 15 μm thick DB is comprised of a single (Nb,X)5Si3 layer. In comparison to the MoSi₂ coating without DB, the coating with a 5 μm thick DB exhibited a markedly enhanced oxidation resistance. The pores in the coating can be quickly filled by the as-formed SiO2. The weight gain of coating with a 5 μm thick DB is about 9.4 mg/cm² after oxidation at 1250 °C for 100 h, and about 10.1 mg/cm² after oxidation at 1350 °C for 50 h.
本研究旨在通过在烧结过程中在界面上引入 Al2O3-SiO2 薄膜作为扩散屏障(DB)来提高涂层密度。研究了界面处扩散阻挡层厚度对涂层密度、相组成和界面结构的影响。结果表明,Al2O3-SiO2 膜能有效减少硅的向内扩散,促进 MoSi2 涂层的致密化。增加 DB 的厚度可相应地提高扩散阻断效果。与无 DB 的 MoSi2 涂层相比,5 μm 厚 DB 涂层的面积孔隙率从 26.8% 降至 15.8%。氧化物 DB 在界面上呈不连续分布。然而,虽然涂层的密度明显增加,但当扩散屏障过厚时,还是出现了严重的裂纹。不含 DB 的涂层和含 3 和 5 μm 厚 DB 的涂层的微观结构基本相似,扩散间区(IDZ)由 Mo5Si3、Nb4Fe3Si5 和 (Nb,X)5Si3 三层组成。相比之下,厚度为 10 和 15 μm 的 DB 涂层的 IDZ 由单层 (Nb,X)5Si3 组成。与不含 DB 的 MoSi₂ 涂层相比,含 5 μm 厚 DB 的涂层的抗氧化性明显增强。涂层中的孔隙可以很快被形成的二氧化硅填满。带有 5 μm 厚 DB 的涂层在 1250 °C 下氧化 100 小时后的增重约为 9.4 mg/cm²,在 1350 °C 下氧化 50 小时后的增重约为 10.1 mg/cm²。
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引用次数: 0
Microstructure and mechanical properties of CuCrFeNi medium entropy alloys synthesized via mechanical alloying and spark plasma sintering 通过机械合金化和火花等离子烧结合成的铜铬铁镍中熵合金的微观结构和力学性能
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177700
Peter Benard Oboso, Seiya Oyama, Julia Horioka, Li-Fu Yi, Tetsuhiko Onda, Shigekazu Morito, Zhong-Chun Chen
In this study, two novel Co-free medium entropy alloys (MEAs) with compositions of Cu20Cr10Fe35Ni35 (Cu20) and Cu10Cr20Fe35Ni35 (Cu10) were successfully prepared by a combination of mechanical alloying (MA) and spark plasma sintering (SPS). The Cu20 alloy exhibited a heterogeneous microstructure consisting of coarse and ultrafine grains (UFG) with a face-centered cubic (FCC) structure. In contrast, the Cu10 alloy showed a homogeneous UFG microstructure with an FCC matrix and a small amount of BCC phase. Moreover, both alloys contained a small amount of Cr7C3 particles, introduced by milling media during MA. In comparison with the Cu20 alloy, the Cu10 alloy exhibited better tensile properties, e.g., yield strength of 712 MPa, ultimate tensile strength of 843 MPa, and elongation of 20.1%, demonstrating an excellent balance between strength and ductility compared to some well-established FCC-structured multi-component MEAs and high entropy alloys (HEAs). The enhanced tensile properties of the Cu10 alloy are attributed to the synergistic effects of grain refinement and Orowan strengthening by the fine Cr7C3 particles. The findings of this work provide valuable insights for designing cost-effective HEAs and MEAs with high strength and desirable ductility for various structural applications.
本研究采用机械合金化(MA)和火花等离子烧结(SPS)相结合的方法,成功制备了两种新型无钴中熵合金(MEA),其成分分别为 Cu20Cr10Fe35Ni35(Cu20)和 Cu10Cr20Fe35Ni35(Cu10)。Cu20 合金呈现出由粗晶粒和超细晶粒(UFG)组成的异质微观结构,具有面心立方(FCC)结构。相比之下,Cu10 合金呈现出均匀的 UFG 显微结构,基体为 FCC,并含有少量 BCC 相。此外,这两种合金都含有少量的 Cr7C3 颗粒,这些颗粒是在 MA 过程中通过研磨介质引入的。与 Cu20 合金相比,Cu10 合金具有更好的拉伸性能,例如屈服强度为 712 兆帕,极限拉伸强度为 843 兆帕,伸长率为 20.1%,与一些成熟的 FCC 结构多组分 MEA 和高熵合金 (HEA) 相比,Cu10 合金在强度和延展性之间实现了极佳的平衡。Cu10 合金拉伸性能的增强归因于细小 Cr7C3 颗粒的晶粒细化和奥罗旺强化的协同效应。这项工作的发现为设计具有高强度和理想延展性的高成本效益 HEA 和 MEA 提供了宝贵的见解,可用于各种结构应用。
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引用次数: 0
Ultrasonic Peening-Water Jet combined Surface Modification Mechanism and Surface Integrity Study of 7075 Aluminum Alloy 7075 铝合金的超声波强化-水射流组合表面改性机理和表面完整性研究
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177706
Ping Zhang, Xiujie Yue, Yajie Sun, Hanping Zhou, Youqiang Wang
This study employs an orthogonal experimental framework to investigate the effects of ultrasonic peening and solid projectile with water jet (UIT-SPEWJ) as a hybrid surface enhancement method on the surface integrity of 7075-T6 aluminum alloy. The research delves into the impact of various processing parameters on the alloy’s surface characteristics, encompassing surface finish, microhardness, residual stresses, and microstructural alterations. Our findings reveal a variation in surface roughness post-treatment, ranging from 0.852 to 2.411 μm; When the jet pressure was 25 MPa, the jet target distance was 7.5 mm, and the ultrasonic amplitude was 5 μm (referred to as UIT-SPEWJ-6), the surface roughness was the lowest at 0.852 μm. In contrast, when the jet pressure was 20 MPa, the jet target distance was 12.5 mm, and the ultrasonic amplitude was 20 μm (referred to as UIT-SPEWJ-4), the surface roughness was the highest at 2.411 μm. Surface textures displayed notable features such as crater-like indentations, adhered debris, and microporosity. The microhardness values on the treated surfaces were measured between 180 and 240 HV, marking an enhancement of 2.2% to 36.3% over the untreated samples. Among the specimens, UIT-SPEWJ-6 exhibited the deepest hardening effect with a layer reaching 240 μm, whereas UIT-SPEWJ-4 showed the shallowest at approximately 210 μm. Residual compressive stresses were observed to lie between 277 and 530 MPa, which denotes a substantial increase of 394.6% to 846.4% over the baseline stress of 56 MPa in untreated samples. Morphologically, UIT-SPEWJ-4 displayed continuous precipitate-free zones (PFZs) measuring 11 to 23 nm and abundant precipitates within 42 to 61 nm accompanied by pronounced dislocation activity. In contrast, UIT-SPEWJ-6 revealed discontinuous PFZs ranging from 7 to 16 nm, smaller precipitates between 22 and 36 nm, refined grain structures, and a higher dislocation density.
本研究采用了一个正交实验框架,研究超声波强化和固体弹丸水射流(UIT-SPEWJ)混合表面强化方法对 7075-T6 铝合金表面完整性的影响。研究深入探讨了各种加工参数对合金表面特性的影响,包括表面光洁度、显微硬度、残余应力和显微结构变化。我们的研究结果表明,处理后的表面粗糙度在 0.852 至 2.411 μm 之间变化;当喷射压力为 25 MPa、喷射目标距离为 7.5 mm、超声振幅为 5 μm(简称为 UIT-SPEWJ-6)时,表面粗糙度最低,为 0.852 μm。相反,当喷射压力为 20 MPa、喷射目标距离为 12.5 mm、超声振幅为 20 μm(简称为 UIT-SPEWJ-4)时,表面粗糙度最高,为 2.411 μm。表面纹理显示出明显的特征,如坑状压痕、附着碎屑和微孔。经过处理的表面的显微硬度值在 180 到 240 HV 之间,比未经处理的试样提高了 2.2% 到 36.3%。在这些试样中,UIT-SPEWJ-6 的硬化效果最深,硬化层达到 240 μm,而 UIT-SPEWJ-4 的硬化效果最浅,约为 210 μm。残余压缩应力介于 277 至 530 兆帕之间,与未处理样品 56 兆帕的基线应力相比,大幅增加了 394.6% 至 846.4%。从形态上看,UIT-SPEWJ-4 显示出 11 至 23 nm 的连续无沉淀区(PFZ)和 42 至 61 nm 范围内的大量沉淀物,并伴有明显的位错活动。相比之下,UIT-SPEWJ-6 则显示出 7 至 16 nm 的不连续无沉淀区、22 至 36 nm 的较小沉淀物、精细的晶粒结构和较高的位错密度。
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引用次数: 0
Controllable fabrication of Fluorite-type Bi4MoO9 nanocrystals with well-defined octahedral shape for visible-light photocatalytic degradation 可控制备具有明确八面体形状的萤石型 Bi4MoO9 纳米晶体,用于可见光光催化降解
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177714
Muhammad Nauman Tahir, Gui Yang, Yang Wu, Juan Long, Dan Xiong, Xiaomin Ren, Bin Huang, Xuejun Pan
The Fluorite-type Bi4MoO9 nanocrystals with well-defined octahedral shape were successfully synthesized via a facile hydrothermal route. The structural transformation from the Aurivillius-type Bi2MoO6 nanocrystals to the Fluorite-related nanocrystals (Bi4MoO9) can be efficiently and precisely controlled by regulating the pH value of the reaction. The influences of reaction time and temperature were investigated to gain a deep understanding of the formation process of octahedral-shaped Bi4MoO9. Furthermore, the photocatalytic activity results showed that the octahedral Bi4MoO9 single crystals manifested excellent photocatalytic activities for the degradation of tetracycline (TC), rhodamine B (RhB), and bisphenol A (BPA). Additionally, the possible degradation intermediates of TC were unraveled and the ecotoxicity changes of identified TC intermediates were evaluated in detail. This present study develops a novel morphology structure of Bi4MoO9 and highlights its promise in the field of environmental remediation.
通过简便的水热法路线,成功合成了具有明确八面体形状的萤石型 Bi4MoO9 纳米晶体。通过调节反应的 pH 值,可以高效、精确地控制从奥里维利乌斯型 Bi2MoO6 纳米晶体到萤石相关纳米晶体(Bi4MoO9)的结构转变。研究了反应时间和温度的影响,以深入了解八面体形 Bi4MoO9 的形成过程。此外,光催化活性结果表明,八面体 Bi4MoO9 单晶在降解四环素(TC)、罗丹明 B(RhB)和双酚 A(BPA)方面表现出优异的光催化活性。此外,还揭示了 TC 可能的降解中间产物,并详细评估了已确定的 TC 中间产物的生态毒性变化。本研究发展了 Bi4MoO9 的新型形态结构,并强调了其在环境修复领域的应用前景。
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引用次数: 0
Highly responsive and stable room temperature acetic acid gas sensor based on nano-composite of MXene Ti3C2TX-NiCo2O4-MnO2 基于 MXene Ti3C2TX-NiCo2O4-MnO2 纳米复合材料的高响应和稳定的室温醋酸气体传感器
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177715
Ali Akhtar, Shama Sadaf, Rujun Zhou, Qiang Ling, Si Luo, Mingming Han, Wu Di, Jianqiao Liu, Daru Chen, Xiangfeng Chu
Designing novel acetic acid gas sensors is highly imperative for human health. Two-dimensional (2D) layered MXene Ti3C2Tx is becoming an emerging and promising material in gas sensing. In this manuscript, the hydrothermal method was used to synthesize MXenes Ti3C2Tx/Nb2CTx supported NiCo2O4-MnO2 composites and pure materials. The structure, chemical composition and morphology of the samples were studied by SEM, EDS, TEM, HRTEM, XRD, BET, FTIR, UV-visible, XPS and Raman, justifying the successful synthesis of products. The layered structure of Ti3C2Tx enhanced the BET surface area and provided sufficient sites, which assisted the gas sensing improvement. The gas sensors were fabricated from synthesized products and were tested for different kinds of VOCs deeply. The results exposed that the gas sensor of Ti3C2Tx-NiCo2O4-MnO2 (5% of Ti3C2Tx=NCO-Mn-Ti-5) was highly sensitive to 20 ppm acetic acid and very less responsive to all other VOCs (acetone, TMA, ethanol, methanol, formaldehyde, acetaldehyde, acetylene and xylene) at room temperature. The response (Rg/Ra) to 20 ppm acetic acid was 12.5 and the lowest detection limit was 0.05 ppm. Additionally, the sensor of NCO-Mn-Ti-5 revealed great stability/reproducibility, short response/recovery times and linearity between acetic acid concentration and response. The idea of the novel sensor (NCO-Mn-Ti-5) could be potentially useful in the field of sensors.
设计新型醋酸气体传感器对人类健康至关重要。二维(2D)层状 MXene Ti3C2Tx 正成为气体传感领域一种新兴的、前景广阔的材料。本文采用水热法合成了以 Ti3C2Tx/Nb2CTx 为支撑的镍钴氧化物-二氧化锰复合材料和纯材料。通过 SEM、EDS、TEM、HRTEM、XRD、BET、FTIR、UV-visible、XPS 和 Raman 对样品的结构、化学成分和形貌进行了研究,证明了产品的成功合成。Ti3C2Tx 的层状结构提高了 BET 表面积,提供了足够的位点,有助于改善气体传感。利用合成的产品制作了气体传感器,并对不同种类的挥发性有机化合物进行了深度测试。结果表明,在室温下,Ti3C2Tx-NiCo2O4-MnO2(5% Ti3C2Tx=NCO-Mn-Ti-5)气体传感器对 20 ppm 乙酸的灵敏度很高,而对其他所有挥发性有机化合物(丙酮、TMA、乙醇、甲醇、甲醛、乙醛、乙炔和二甲苯)的灵敏度很低。对 20 ppm 乙酸的响应(Rg/Ra)为 12.5,最低检测限为 0.05 ppm。此外,NCO-锰-钛-5 传感器显示出极高的稳定性/可重复性,响应/恢复时间短,醋酸浓度与响应之间呈线性关系。新型传感器(NCO-Mn-Ti-5)的设计理念可能会在传感器领域大有用武之地。
{"title":"Highly responsive and stable room temperature acetic acid gas sensor based on nano-composite of MXene Ti3C2TX-NiCo2O4-MnO2","authors":"Ali Akhtar, Shama Sadaf, Rujun Zhou, Qiang Ling, Si Luo, Mingming Han, Wu Di, Jianqiao Liu, Daru Chen, Xiangfeng Chu","doi":"10.1016/j.jallcom.2024.177715","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.177715","url":null,"abstract":"Designing novel acetic acid gas sensors is highly imperative for human health. Two-dimensional (2D) layered MXene Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> is becoming an emerging and promising material in gas sensing. In this manuscript, the hydrothermal method was used to synthesize MXenes Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>/Nb<sub>2</sub>CT<sub>x</sub> supported NiCo<sub>2</sub>O<sub>4</sub>-MnO<sub>2</sub> composites and pure materials. The structure, chemical composition and morphology of the samples were studied by SEM, EDS, TEM, HRTEM, XRD, BET, FTIR, UV-visible, XPS and Raman, justifying the successful synthesis of products. The layered structure of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> enhanced the BET surface area and provided sufficient sites, which assisted the gas sensing improvement. The gas sensors were fabricated from synthesized products and were tested for different kinds of VOCs deeply. The results exposed that the gas sensor of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>-NiCo<sub>2</sub>O<sub>4</sub>-MnO<sub>2</sub> (5% of Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>=NCO-Mn-Ti-5) was highly sensitive to 20 ppm acetic acid and very less responsive to all other VOCs (acetone, TMA, ethanol, methanol, formaldehyde, acetaldehyde, acetylene and xylene) at room temperature. The response (R<sub>g</sub>/R<sub>a</sub>) to 20 ppm acetic acid was 12.5 and the lowest detection limit was 0.05 ppm. Additionally, the sensor of NCO-Mn-Ti-5 revealed great stability/reproducibility, short response/recovery times and linearity between acetic acid concentration and response. The idea of the novel sensor (NCO-Mn-Ti-5) could be potentially useful in the field of sensors.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"38 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
High-sensitivity and ultra-broad linear working region flexible piezoresistive pressure sensors based on PDMS/CNT/TPU 基于 PDMS/CNT/TPU 的高灵敏度、超宽线性工作区域柔性压阻压力传感器
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177711
Zhiwen Chen, Jingchen Ma, Xiaoyu Zhang, Aixiang Wei, Ningqi Luo, Yuding He, Yu Zhao, Zhen Liu, Jiaxiong Xu
Designing and fabricating flexible piezoresistive pressure sensors (FPPS) with simultaneous high sensitivity and a broad linear working region remains a considerable challenge. In this work, thermoplastic polyurethane (TPU) fiber films were first prepared via electrospinning. Then, the CNTs were anchored onto the surface of a TPU fiber films via ultrasonication as the driving force. Finally, polydimethylsiloxane (PDMS) was used to modify the CNT/TPU and obtain the PDMS/CNT/TPU composite materials. The electrical and mechanical properties of CNT/TPU and PDMS/CNT/TPU were studied. The sensor performances of FPPS based on CNT/TPU and PDMS/CNT/TPU were analyzed and compared. These results prove that the sensitivity of FPPS is significantly improved after the PDMS modification. The optimized PDMS/CNT/TPU FPPS has a sensitivity of 1.43 kPa-1 in a ultra-broad linear working region of 0-2500 kPa and cycling stability over 6000 cycles. FPPS has been successfully used to monitor physiological signals and human movements, which indicates great potential for wearable electronics and human-machine interfaces.
设计和制造同时具有高灵敏度和宽线性工作区域的柔性压阻压力传感器(FPPS)仍然是一项相当大的挑战。在这项工作中,首先通过电纺丝制备了热塑性聚氨酯(TPU)纤维膜。然后,以超声波为驱动力,将 CNT 固定在 TPU 纤维薄膜的表面。最后,使用聚二甲基硅氧烷(PDMS)对 CNT/TPU 进行改性,得到 PDMS/CNT/TPU 复合材料。研究了 CNT/TPU 和 PDMS/CNT/TPU 的电气和机械性能。分析并比较了基于 CNT/TPU 和 PDMS/CNT/TPU 的 FPPS 传感器性能。这些结果证明,经过 PDMS 改性后,FPPS 的灵敏度明显提高。优化后的 PDMS/CNT/TPU FPPS 在 0-2500 kPa 的超宽线性工作区域内灵敏度为 1.43 kPa-1,循环稳定性超过 6000 次。FPPS 已成功用于监测生理信号和人体运动,这表明它在可穿戴电子设备和人机界面方面具有巨大潜力。
{"title":"High-sensitivity and ultra-broad linear working region flexible piezoresistive pressure sensors based on PDMS/CNT/TPU","authors":"Zhiwen Chen, Jingchen Ma, Xiaoyu Zhang, Aixiang Wei, Ningqi Luo, Yuding He, Yu Zhao, Zhen Liu, Jiaxiong Xu","doi":"10.1016/j.jallcom.2024.177711","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.177711","url":null,"abstract":"Designing and fabricating flexible piezoresistive pressure sensors (FPPS) with simultaneous high sensitivity and a broad linear working region remains a considerable challenge. In this work, thermoplastic polyurethane (TPU) fiber films were first prepared via electrospinning. Then, the CNTs were anchored onto the surface of a TPU fiber films via ultrasonication as the driving force. Finally, polydimethylsiloxane (PDMS) was used to modify the CNT/TPU and obtain the PDMS/CNT/TPU composite materials. The electrical and mechanical properties of CNT/TPU and PDMS/CNT/TPU were studied. The sensor performances of FPPS based on CNT/TPU and PDMS/CNT/TPU were analyzed and compared. These results prove that the sensitivity of FPPS is significantly improved after the PDMS modification. The optimized PDMS/CNT/TPU FPPS has a sensitivity of 1.43 kPa<sup>-1</sup> in a ultra-broad linear working region of 0-2500 kPa and cycling stability over 6000 cycles. FPPS has been successfully used to monitor physiological signals and human movements, which indicates great potential for wearable electronics and human-machine interfaces.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"16 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Boost efficiency with buffer and bottom stack optimization in Cu2BaSn(S,Se)4 solar cells by simulation 通过模拟优化 Cu2BaSn(S,Se)4 太阳能电池中的缓冲区和底部叠层来提高效率
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177707
Kaviya Tracy Arockiya Dass, Aruna-Devi Rasu Chettiar, Evangeline Linda, Latha Marasamy
Cu2BaSn(S,Se)4 is gaining tremendous attention as a potential absorber due to its non-toxicity, earth abundance, and low antisite defects opposing Cu2ZnSn(S,Se)4. However, the highest experimental efficiency of 6.17% is achieved with the device structure Al:ZnO/Mg:ZnO/Zn1-xCdxS/Cu2BaSn(S,Se)4/Mo where the drawback is large open circuit voltage (VOC) loss stemming from the large cliff at the absorber/buffer interface and back contact recombination. Therefore, finding a suitable non-toxic buffer with modification of the bottom stack is crucial. In this regard, Cu2BaSn(S,Se)4 solar cells based on diverse buffers are numerically simulated using SCAPS-1D with Ni as back contact and introducing back surface field (BSF) at the absorber/Ni interface. At first, a baseline model validating the experimental efficiency is designed. The application of Ni enhanced efficiency to 7.92% due to the formation of ohmic contact. Further, it is improved to 9.91% with anti-reflection coating. Afterward, a total of 780 solar cells were designed with six buffer and eight BSF combinations by optimizing the absorber, buffer, and interface properties where the highest efficiency of 28.11% with incredible fill factor (90%) and less VOC loss (0.24 V) is accomplished for the AZO/ZMO/TiO2/Cu2BaSn(S,Se)4/CuI/Ni solar cell. Further, the importance of BSF is analyzed via energy band diagrams, Mott-Schottky and Nyquist plots. The outcomes disclosed that the BSF greatly influences the energy band alignment, built-in potential, depletion width, and recombination resistance of solar cells, underscoring its significance in improving performance. Overall, the present work proposes an efficient strategy to modify the device configuration of Cu2BaSn(S,Se)4 solar cells to enhance their efficiency.
与 Cu2ZnSn(S,Se)4 相比,Cu2BaSn(S,Se)4 具有无毒性、地球丰度和较低的反斜长石缺陷,因此作为一种潜在的吸收剂受到了极大的关注。然而,Al:ZnO/Mg:ZnO/Zn1-xCdxS/Cu2BaSn(S,Se)4/Mo 器件结构的最高实验效率为 6.17%。因此,找到一种合适的无毒缓冲器并对底部堆栈进行改性至关重要。为此,我们使用 SCAPS-1D 对基于不同缓冲器的 Cu2BaSn(S,Se)4 太阳能电池进行了数值模拟,将 Ni 作为背接触,并在吸收器/Ni 界面引入背表面场 (BSF)。首先,设计了一个验证实验效率的基线模型。由于形成了欧姆接触,镍的应用将效率提高到 7.92%。此外,使用抗反射涂层后,效率提高到 9.91%。随后,通过优化吸收器、缓冲器和界面特性,共设计出 780 个太阳能电池,其中有 6 种缓冲器和 8 种 BSF 组合,AZO/ZMO/TiO2/Cu2BaSn(S,Se)4/CuI/Ni 太阳能电池的效率最高,达到 28.11%,填充因子高达 90%,VOC 损失更小(0.24 V)。此外,还通过能带图、莫特-肖特基图和奈奎斯特图分析了 BSF 的重要性。研究结果表明,BSF 对太阳能电池的能带排列、内置电势、耗尽宽度和重组电阻有很大影响,突出了其在提高性能方面的重要性。总之,本研究提出了一种改变 Cu2BaSn(S,Se)4 太阳能电池器件配置以提高其效率的有效策略。
{"title":"Boost efficiency with buffer and bottom stack optimization in Cu2BaSn(S,Se)4 solar cells by simulation","authors":"Kaviya Tracy Arockiya Dass, Aruna-Devi Rasu Chettiar, Evangeline Linda, Latha Marasamy","doi":"10.1016/j.jallcom.2024.177707","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.177707","url":null,"abstract":"Cu<sub>2</sub>BaSn(S,Se)<sub>4</sub> is gaining tremendous attention as a potential absorber due to its non-toxicity, earth abundance, and low antisite defects opposing Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub>. However, the highest experimental efficiency of 6.17% is achieved with the device structure Al:ZnO/Mg:ZnO/Zn<sub>1-x</sub>Cd<sub>x</sub>S/Cu<sub>2</sub>BaSn(S,Se)<sub>4</sub>/Mo where the drawback is large open circuit voltage (V<sub>OC</sub>) loss stemming from the large cliff at the absorber/buffer interface and back contact recombination. Therefore, finding a suitable non-toxic buffer with modification of the bottom stack is crucial. In this regard, Cu<sub>2</sub>BaSn(S,Se)<sub>4</sub> solar cells based on diverse buffers are numerically simulated using SCAPS-1D with Ni as back contact and introducing back surface field (BSF) at the absorber/Ni interface. At first, a baseline model validating the experimental efficiency is designed. The application of Ni enhanced efficiency to 7.92% due to the formation of ohmic contact. Further, it is improved to 9.91% with anti-reflection coating. Afterward, a total of 780 solar cells were designed with six buffer and eight BSF combinations by optimizing the absorber, buffer, and interface properties where the highest efficiency of 28.11% with incredible fill factor (90%) and less V<sub>OC</sub> loss (0.24<!-- --> <!-- -->V) is accomplished for the AZO/ZMO/TiO<sub>2</sub>/Cu<sub>2</sub>BaSn(S,Se)<sub>4</sub>/CuI/Ni solar cell. Further, the importance of BSF is analyzed via energy band diagrams, Mott-Schottky and Nyquist plots. The outcomes disclosed that the BSF greatly influences the energy band alignment, built-in potential, depletion width, and recombination resistance of solar cells, underscoring its significance in improving performance. Overall, the present work proposes an efficient strategy to modify the device configuration of Cu<sub>2</sub>BaSn(S,Se)<sub>4</sub> solar cells to enhance their efficiency.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"23 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Molecular doping of graphitic carbon nitride for enhanced visible light-driven photodegradation of organic contaminants 分子掺杂石墨氮化碳以增强可见光驱动的有机污染物光降解能力
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177713
Guowei Wang, Shuang Fu, Peng Hou, Yuedong Li, Chunxue Cui, Tonghui Yi, Hongguang Zhang
Utilizing solar energy for photodegradation of organic contaminants is an attractive strategy for environmental remediation. However, the synthesis of photocatalysts for efficient use of solar energy remains a challenge. Herein, we designed and synthesized a hierarchical and porous g-C3N4 (CN) via thermal polymerization of 5-amino-1H-tetrazole (ATZ) and melamine molecules. Experimental results demonstrate that the incorporation of electron-deficient ATZ into the CN structure drastically promotes the separation and transport of photoexcited charge carriers, and increases the specific surface area and pore size of the sample. Based on these unique features, the optimal CN-ATZ1 sample exhibited excellent photocatalytic activity with a rate constant of 0.091 min-1 for the degradation of rhodamine B (RhB) under visible light irradiation, which was about 10.71 times higher than that of bulk CN. Radical trapping experiments demonstrate that the superoxide radical (•O2) is the major active species during the photodegradation process. This study provides a feasible strategy for the design and construction of g-C3N4 photocatalysts with high degradation activity.
利用太阳能对有机污染物进行光降解是一种极具吸引力的环境修复策略。然而,如何合成高效利用太阳能的光催化剂仍是一项挑战。在此,我们通过热聚合 5-amino-1H-tetrazole (ATZ) 和三聚氰胺分子,设计并合成了一种分层多孔 g-C3N4 (CN)。实验结果表明,在 CN 结构中加入缺电子的 ATZ 能极大地促进光激发电荷载流子的分离和传输,并增加样品的比表面积和孔径。基于这些独特的特性,最佳的 CN-ATZ1 样品表现出优异的光催化活性,在可见光照射下降解罗丹明 B(RhB)的速率常数为 0.091 min-1,是块体 CN 的 10.71 倍。自由基捕获实验表明,超氧自由基(-O2-)是光降解过程中的主要活性物种。这项研究为设计和构建具有高降解活性的 g-C3N4 光催化剂提供了一种可行的策略。
{"title":"Molecular doping of graphitic carbon nitride for enhanced visible light-driven photodegradation of organic contaminants","authors":"Guowei Wang, Shuang Fu, Peng Hou, Yuedong Li, Chunxue Cui, Tonghui Yi, Hongguang Zhang","doi":"10.1016/j.jallcom.2024.177713","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.177713","url":null,"abstract":"Utilizing solar energy for photodegradation of organic contaminants is an attractive strategy for environmental remediation. However, the synthesis of photocatalysts for efficient use of solar energy remains a challenge. Herein, we designed and synthesized a hierarchical and porous g-C<sub>3</sub>N<sub>4</sub> (CN) via thermal polymerization of 5-amino-1H-tetrazole (ATZ) and melamine molecules. Experimental results demonstrate that the incorporation of electron-deficient ATZ into the CN structure drastically promotes the separation and transport of photoexcited charge carriers, and increases the specific surface area and pore size of the sample. Based on these unique features, the optimal CN-ATZ1 sample exhibited excellent photocatalytic activity with a rate constant of 0.091<!-- --> <!-- -->min<sup>-1</sup> for the degradation of rhodamine B (RhB) under visible light irradiation, which was about 10.71 times higher than that of bulk CN. Radical trapping experiments demonstrate that the superoxide radical (•O<sub>2</sub><sup>−</sup>) is the major active species during the photodegradation process. This study provides a feasible strategy for the design and construction of g-C<sub>3</sub>N<sub>4</sub> photocatalysts with high degradation activity.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"129 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142684621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
The local-structure and radiation resistance of Ln3TaO7 (Ln = Y, Sm, Gd) Ln3TaO7 (Ln = Y、Sm、Gd)的局部结构和抗辐射性能
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177708
Yue Xia, Sulgiye Park, Jing Zhang, Pengcheng Mu, Haonan Li, LongCheng Liu, Hiroshi Watabe, Rodney C Ewing, Dongyan Yang, Yuhong Li
Domains of the weberite structure has been found in both intrinsic and extrinsic disordered-pyrochlore oxides. Here we report a study of the local structure of the weberite structure-type Ln3TaO7 (Ln = Y, Sm, Gd) and their response to ion beam irradiation. All pristine compositions exhibit C222₁ structures at both local and long-range scales. Upon irradiation up to 1×1015 ions/cm2, Ln3TaO7 (Ln = Y, Sm, Gd) maintained an ordered weberite structure with a unit cell volume expansion of less than 2.5%. Nanoindentation measurements demonstrate that these oxides possess excellent mechanical stability under radiation exposure. The observed radiation resistance and mechanical robustness suggest that Ln₃TaO₇ oxides are promising candidate materials for applications in high-radiation fields.
在本征和外征无序正长石氧化物中都发现了网状结构域。在此,我们报告了对网脉石结构类型 Ln3TaO7(Ln = Y、Sm、Gd)的局部结构及其对离子束辐照的响应的研究。所有原始成分在局部和长程尺度上都表现出 C222₁结构。在高达 1×1015 离子/cm2 的辐照下,Ln3TaO7(Ln = Y、Sm、Gd)保持了有序的网状结构,单胞体积膨胀率小于 2.5%。纳米压痕测量结果表明,这些氧化物在辐射照射下具有出色的机械稳定性。观察到的抗辐射性和机械稳定性表明,Ln₃TaO₇氧化物是有望应用于高辐射领域的候选材料。
{"title":"The local-structure and radiation resistance of Ln3TaO7 (Ln = Y, Sm, Gd)","authors":"Yue Xia, Sulgiye Park, Jing Zhang, Pengcheng Mu, Haonan Li, LongCheng Liu, Hiroshi Watabe, Rodney C Ewing, Dongyan Yang, Yuhong Li","doi":"10.1016/j.jallcom.2024.177708","DOIUrl":"https://doi.org/10.1016/j.jallcom.2024.177708","url":null,"abstract":"Domains of the weberite structure has been found in both intrinsic and extrinsic disordered-pyrochlore oxides. Here we report a study of the local structure of the weberite structure-type Ln<sub>3</sub>TaO<sub>7</sub> (Ln = Y, Sm, Gd) and their response to ion beam irradiation. All pristine compositions exhibit C222₁ structures at both local and long-range scales. Upon irradiation up to 1×10<sup>15<!-- --> </sup>ions/cm<sup>2</sup>, Ln<sub>3</sub>TaO<sub>7</sub> (Ln = Y, Sm, Gd) maintained an ordered weberite structure with a unit cell volume expansion of less than 2.5%. Nanoindentation measurements demonstrate that these oxides possess excellent mechanical stability under radiation exposure. The observed radiation resistance and mechanical robustness suggest that Ln₃TaO₇ oxides are promising candidate materials for applications in high-radiation fields.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"12 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142691052","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Tailoring MoS2 nanoflakes over MXenes nanobelts for efficient ammonia detection at room temperature 在 MXenes 纳米颗粒上定制 MoS2 纳米薄片,实现室温下的高效氨检测
IF 6.2 2区 材料科学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-11-22 DOI: 10.1016/j.jallcom.2024.177710
Zhenzhen Guo, Haoran Zhang, Jiameng Zhang, Najah Alwadie, Lingyao Duan, Yunling Li, Zhenyu Hou, Van-Duong Dao, Muhammad Sultan Irshad
Molybdenum disulfide (MoS2) has emerged as a promising material for room-temperature gas sensing applications. However, its practical use is constrained by stability issues. To address this, the in-situ growth of MoS2 nanoflakes on MXenes (Ti3C2) nanobelts is reported for efficient ammonia (NH3) gas sensing applications under ambient conditions. The MoS2 nanoflakes are grown successfully on Ti3C2 nanobelts via a facile one-step hydrothermal method and analyzed by state-of-the-art investigations. The design of the gas sensor is to anchor MoS2/Ti3C2 onto a ceramic tube with a pair of gold electrodes. The results demonstrate that the sensor fabricated exhibits rapid, selective and stable response for NH3 at room temperature. Specifically, the sensor shows a significant gas response (~10%) to 100 ppm NH3, outperforming the pure MoS2 based sensor (~7%). More importantly, the sensor maintains performance at 1 ppm NH3, with a gas response of 2.5%, a response time of 10 seconds, and a recovery time of 7 seconds. These enhancements are attributed to the synergistic effects between MoS2 and Ti3C2, which not only improve stability but also enhance gas sensing capabilities. This study elucidates the potential of MoS2/Ti3C2 composites for achieving reliable and efficient NH3 sensing at room temperature, paving the way for advanced gas sensing technology.
二硫化钼(MoS2)已成为室温气体传感应用中一种前景广阔的材料。然而,其实际应用受到稳定性问题的限制。为解决这一问题,本研究报告了在 MXenes(Ti3C2)纳米颗粒上原位生长 MoS2 纳米片的方法,以在环境条件下实现高效的氨(NH3)气体传感应用。通过简单的一步水热法,MoS2 纳米片成功地生长在 Ti3C2 纳米球体上,并进行了最新的研究分析。气体传感器的设计是将 MoS2/Ti3C2 固定在带有一对金电极的陶瓷管上。结果表明,所制造的传感器在室温下对 NH3 具有快速、选择性和稳定的响应。具体来说,该传感器对 100 ppm NH3 的气体响应显著(约 10%),优于纯 MoS2 传感器(约 7%)。更重要的是,该传感器在 1 ppm NH3 时仍能保持性能,气体响应为 2.5%,响应时间为 10 秒,恢复时间为 7 秒。这些改进归功于 MoS2 和 Ti3C2 之间的协同效应,它们不仅提高了稳定性,还增强了气体传感能力。这项研究阐明了 MoS2/Ti3C2 复合材料在室温下实现可靠、高效 NH3 传感的潜力,为先进的气体传感技术铺平了道路。
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Journal of Alloys and Compounds
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