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Fabrication of novel goethite analogues photocatalyst with enriched oxygen vacancies and Fe2+/Fe3+ cycle sites for peroxymonosulfate activation: A synergistic catalytic for ofloxacin degradation 具有富氧空位和Fe2+/Fe3+循环位点的新型针铁矿类似物光催化剂的制备及其对氧氟沙星降解的协同催化作用
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-03 DOI: 10.1016/j.mssp.2025.110404
Chu-Chu Hu , Jian-Tao Jiang , Yan Pan, Guo-Qing Zhao, Qi-E Zhang, Meng-Ting He, A-Li Yu, Xun-Kuan Ye, Limin Lu
The sluggish surface reaction kinetics and the unclear synergistic catalytic mechanism of oxygen vacancies and Fe2+/Fe3+ cycles were the bottleneck issues that restricted the activation of peroxymonosulfate (PMS) for pollutant removal. Herein, an effective alternative catalyst of natural cheap mineral materials (G-0.05) with oxygen vacancies and Fe2+/Fe3+ cycle properties was fabricated and applied it as a PMS activation for ofloxacin (OFX) degradation. As a result, 91.1 % of OFX can be eliminated within 40 min in G-0.05/PMS/Vis system, which was 4.29 times higher than the pristine goethite (GT). According to the EPR and quenching tests, several species (SO4∙-, ∙OH, ∙O2- and 1O2) could be contemporaneously generated in G-0.05/PMS/Vis system and SO4∙-, ∙O2- and 1O2 proved to be the crucial active species in the degradation of OFX. Moreover, in order to enhance the photocatalytic stability of the aimed catalysts, G-0.05 was assembled with an ordinary hydrogel and the fabricated G-0.05/Ca-alginate spherical hydrogel exhibited the elimination efficiency of over 80 % for OFX after five cycles. Catalytic mechanism revealed that the synergistic effects of the Fe2+/Fe3+ and oxygen vacancies were conductive to the PMS activation and OFX degradation. Furthermore, a possible degradation mechanism of OFX in the G-0.05/PMS/Vis system was proposed. All in all, the G-0.05/PMS/Vis system revealed its effectiveness as an eco-friendly technology for purifying organic contaminants wastewater.
表面反应动力学迟缓,氧空位和Fe2+/Fe3+循环的协同催化机制不明确是制约过氧单硫酸盐(PMS)活化去除污染物的瓶颈问题。本文制备了一种具有氧空位和Fe2+/Fe3+循环性能的天然廉价矿物材料(G-0.05)的有效替代催化剂,并将其作为PMS活化降解氧氟沙星(OFX)。结果表明,在G-0.05/PMS/Vis体系中,40 min内OFX的去除率为91.1%,是原始针铁矿(GT)的4.29倍。EPR和淬灭实验结果表明,在G-0.05/PMS/Vis体系中可同时生成SO4∙∙-、∙OH、∙O2-和1O2等多种物质,SO4∙-、∙O2-和1O2是OFX降解的关键活性物质。此外,为了提高目标催化剂的光催化稳定性,将G-0.05与普通水凝胶组装在一起,制备的G-0.05/海藻酸钙球形水凝胶在5个循环后对OFX的去除效率超过80%。催化机理表明,Fe2+/Fe3+和氧空位的协同作用有利于PMS的活化和OFX的降解。进一步探讨了OFX在G-0.05/PMS/Vis体系中降解的可能机制。总之,G-0.05/PMS/Vis系统显示了其作为一种环保技术净化有机污染物废水的有效性。
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引用次数: 0
Tailoring structural, optical, and electrochemical properties of Mn-doped SnS nanoparticles via a facile Co-precipitation route 通过快速共沉淀法制备mn掺杂SnS纳米粒子的结构、光学和电化学性能
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-31 DOI: 10.1016/j.mssp.2025.110374
Veerapandiyan Arumugam , P. Elaiyaraja , M. Dhilip , I. Devadoss , A. Krishnamoorthy , P. Sakthivel
Tin monosulfide (SnS) is a promising binary semiconductor with significant potential for optical and electrochemical device applications. This research entailed the synthesis of manganese-doped tin sulfide nanoparticles via a co-precipitation technique. The structural, morphological, optical, and electrochemical properties were thoroughly analyzed using powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FESEM), UV–visible spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, Raman spectroscopy, photoluminescence (PL) analysis, cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). PXRD analysis confirmed the orthorhombic phase of SnS, with crystallite sizes ranging from 0.35 to 1.65 nm, as determined by the Debye–Scherrer equation. Optical investigations demonstrated an indirect band gap ranging from 1.230 eV to 1.290 eV with manganese doping. The photoluminescence spectra exhibited a significant emission peak at 725 nm. The Raman spectra demonstrated the presence of a secondary Sn2S3 phase, as evidenced by the significant Ag vibrational modes at 225 cm−1 and an additional peak at 307 cm−1. The successful incorporation of Mn into the SnS lattice was confirmed by EDX analysis, while FESEM images demonstrated uniformly distributed spherical nanoparticles. Electrochemical investigations revealed that the Mn-0.1 sample displayed enhanced specific capacitance relative to undoped SnS and other Mn concentrations. Nonetheless, EIS analysis demonstrated increased charge transfer resistance in the Mn-0.1 sample, signifying diminished ion diffusion. Conversely, other Mn-doped samples exhibited enhanced charge transfer characteristics. Manganese doping markedly improves the optical and electrochemical properties of SnS nanoparticles, rendering them appropriate for multifunctional optoelectronic applications.
单硫化锡是一种很有前途的二元半导体材料,在光学和电化学器件中具有重要的应用潜力。本研究通过共沉淀法合成了掺杂锰的硫化锡纳米颗粒。采用粉末x射线衍射(PXRD)、场发射扫描电镜(FESEM)、紫外-可见光谱、傅里叶变换红外(FTIR)光谱、拉曼光谱、光致发光(PL)分析、循环伏安法(CV)和电化学阻抗谱(EIS)对其结构、形态、光学和电化学性能进行了全面分析。根据Debye-Scherrer方程,PXRD分析证实了SnS的正交相,晶粒尺寸在0.35 ~ 1.65 nm之间。光学研究表明,掺杂锰后,间接带隙在1.230 ~ 1.290 eV之间。光致发光光谱在725 nm处有明显的发射峰。拉曼光谱显示了Sn2S3相的存在,在225 cm−1处有明显的Ag振动模式,在307 cm−1处有一个额外的峰。EDX分析证实了Mn成功结合到SnS晶格中,而FESEM图像显示均匀分布的球形纳米颗粒。电化学研究表明,相对于未掺杂的SnS和其他Mn浓度,Mn-0.1样品具有增强的比电容。尽管如此,EIS分析表明Mn-0.1样品中的电荷转移阻力增加,表明离子扩散减弱。相反,其他掺杂锰的样品表现出增强的电荷转移特性。锰的掺杂显著改善了SnS纳米粒子的光学和电化学性能,使其适合于多功能光电应用。
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引用次数: 0
Molecular beam epitaxy growth of high-quality, lattice-matched InAsSb on GaSb substrates 在GaSb衬底上生长高质量、晶格匹配的InAsSb的分子束外延
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-31 DOI: 10.1016/j.mssp.2025.110381
You MingHui , Meng Yinxia , Li Lin , Li Zhanguo
We grew lattice-matched InAsSb on GaSb substrates using molecular beam epitaxy (MBE). The effects of growth rate, As and Sb beam fluxes were systematically investigated by high-resolution X-ray diffraction (HRXRD), elucidating the relationship between growth parameters and Sb composition. These optimized growth parameters were validated by fabricating a high-quality, 7-period InAs/InAsSb multiple quantum well (MQW) structure on a GaSb substrate. The resulting MQW structure exhibited XRD satellite peaks up to the +9th order, indicating good periodicity and structural quality. The Sb composition of the InAsSb layer was determined to be approximately 8.9 %, with a thickness deviation of only +0.2 %. A slight angular offset observed between the zeroth-order MQW peak and the GaSb substrate is attributed to slight tensile strain from the thin InAs layers. These results are consistent with the growth of a high-quality, nearly lattice-matched structure. This study provides experimental guidelines for growing high-quality InAsSb layers and superlattices, which are essential for the development of next-generation mid-infrared laser sources, detectors and other optoelectronic devices.
我们利用分子束外延(MBE)技术在GaSb衬底上生长了晶格匹配的InAsSb。利用高分辨率x射线衍射(HRXRD)系统研究了生长速率、As和Sb束流通量的影响,阐明了生长参数与Sb组成的关系。通过在GaSb衬底上制造高质量的7周期InAs/InAsSb多量子阱(MQW)结构,验证了这些优化的生长参数。所得的MQW结构呈现出高达+9阶的XRD卫星峰,具有良好的周期性和结构质量。测定了InAsSb层的Sb成分约为8.9%,厚度偏差仅为+ 0.2%。在零阶MQW峰和GaSb衬底之间观察到的轻微角偏移归因于薄InAs层的轻微拉伸应变。这些结果与高质量的、几乎晶格匹配的结构的生长是一致的。该研究为生长高质量的InAsSb层和超晶格提供了实验指导,这对于开发下一代中红外激光源、探测器和其他光电器件至关重要。
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引用次数: 0
A first-principles study on perovskite-based heterojunction SnS/CsPbBr3 used for photovoltaics 光伏用钙钛矿异质结SnS/CsPbBr3的第一性原理研究
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-29 DOI: 10.1016/j.mssp.2025.110393
Junli Chang , Yuhan Wang , Peng Wang , Guangzhao Wang , Yeesin Ang
Perovskite-based functional materials have emerged as promising candidates for photovoltaic applications. However, enhancing power conversion efficiency (PCE) remains a significant challenge. To address this, the SnS/CsPbBr3 heterojunction is proposed to achieve superior optical performance. In the present work, first-principles calculations have been performed to thoroughly explore its underlying mechanisms, including geometric structure, electronic and optical properties. The results indicate that within the SnS/CsPbBr3 heterojunction the electronic states at the bandgap edge are composed of electronic orbits from different constituent layers. Moreover, it is unveiled that electron charge is significant transferred from the SnS to the CsPbBr3. Hence, the SnS/CsPbBr3 heterojunction is deduced to be a typical S-scheme configuration. Most of importantly, the optical absorption in the visible-light range is substantially enhanced. Furthermore, the impact of strain on the bandgap and binding energy of the SnS/CsPbBr3 is also discussed herein. These results provide theoretical insights into microscopic mechanisms within perovskite-based heterojunctions, which is useful to develop new-type highly efficient perovskite-based photovoltaic materials.
钙钛矿基功能材料已成为光伏应用的有前途的候选者。然而,提高功率转换效率(PCE)仍然是一个重大挑战。为了解决这个问题,提出了SnS/CsPbBr3异质结来实现优越的光学性能。在目前的工作中,第一性原理计算已经被执行,以彻底探索其潜在的机制,包括几何结构,电子和光学性质。结果表明,在SnS/CsPbBr3异质结中,带隙边缘的电子态由来自不同组成层的电子轨道组成。此外,还揭示了电子电荷从SnS向CsPbBr3转移的显著性。因此,推导出SnS/CsPbBr3异质结为典型的s型结构。最重要的是,可见光范围内的光吸收大大增强。此外,本文还讨论了应变对SnS/CsPbBr3带隙和结合能的影响。这些结果为钙钛矿基异质结的微观机制提供了理论见解,有助于开发新型高效钙钛矿基光伏材料。
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引用次数: 0
High-performance Smx(Zn15Sb85) 1-x thin film on silicon substrate for phase-change memory application 高性能Smx(Zn15Sb85) 1-x薄膜在硅衬底上的相变存储器应用
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-29 DOI: 10.1016/j.mssp.2025.110395
Zhichao Qi , Yu Li , Zhengquan Zhou , Weihua Wu
ZnSb-based phase-change materials suffer from metastable crystallization, rapid grain growth, and poor thermal stability, limiting their applicability in high-temperature and low-power phase change memory devices. To address these issues, Sm-doped Zn15Sb85 thin films with varying concentrations were prepared via magnetron sputtering, and their thermal stability, electrical behavior, structural evolution, and device performance were systematically investigated. Sm incorporation can significantly increase the crystallization temperature, 10-year data-retention retention, and crystallization activation energy, demonstrating the obvious improvement of thermal stability of the amorphous phase. X-ray diffraction and X-ray photoelectron spectroscopy analyses demonstrate that substitution of Zn2+ with Sm3+ induces lattice distortion and electronic-structure modulation, thereby suppressing Sb nucleation and refining grain size. These effects also can reduce resistance drift and improve surface smoothness. The optimized composition Sm0.011(Zn15Sb85)0.989 exhibits the crystallization temperature of 240 °C, 10-year data-retention temperature of 173 °C, and crystallization activation energy of 4.26 eV. T-type phase-change memory cells exhibit reversible SET/RESET behavior with a threshold voltage of 2.33 V and a programming current of only 0.41 μA. This corresponds to a programming power of ∼1 μW, which is 2-3 orders of magnitude lower than that of typical Ge2Sb2Te5-based phase-change memory cells with comparable dimensions. These results demonstrate that Sm-doped Zn15Sb85 is a promising Te-free phase change material for high-temperature and neuromorphic applications.
znsb基相变材料存在亚稳结晶、晶粒生长快、热稳定性差等缺点,限制了其在高温低功耗相变存储器件中的应用。为了解决这些问题,采用磁控溅射法制备了不同浓度的sm掺杂Zn15Sb85薄膜,并对其热稳定性、电学行为、结构演变和器件性能进行了系统的研究。Sm的加入可以显著提高结晶温度、10年数据保留率和结晶活化能,表明非晶相的热稳定性得到明显改善。x射线衍射和x射线光电子能谱分析表明,Sm3+取代Zn2+引起晶格畸变和电子结构调制,从而抑制Sb成核,细化晶粒尺寸。这些效果还可以减少阻力漂移,提高表面光滑度。优化后的组合物Sm0.011(Zn15Sb85)0.989结晶温度为240℃,10年数据保留温度为173℃,结晶活化能为4.26 eV。t型相变存储电池具有可逆的SET/RESET特性,阈值电压为2.33 V,编程电流仅为0.41 μA。这相当于1 μW的编程功率,比具有同等尺寸的典型的基于ge2sb2te5的相变存储单元低2-3个数量级。这些结果表明,sm掺杂Zn15Sb85是一种很有前途的高温和神经形态无te相变材料。
{"title":"High-performance Smx(Zn15Sb85) 1-x thin film on silicon substrate for phase-change memory application","authors":"Zhichao Qi ,&nbsp;Yu Li ,&nbsp;Zhengquan Zhou ,&nbsp;Weihua Wu","doi":"10.1016/j.mssp.2025.110395","DOIUrl":"10.1016/j.mssp.2025.110395","url":null,"abstract":"<div><div>ZnSb-based phase-change materials suffer from metastable crystallization, rapid grain growth, and poor thermal stability, limiting their applicability in high-temperature and low-power phase change memory devices. To address these issues, Sm-doped Zn<sub>15</sub>Sb<sub>85</sub> thin films with varying concentrations were prepared via magnetron sputtering, and their thermal stability, electrical behavior, structural evolution, and device performance were systematically investigated. Sm incorporation can significantly increase the crystallization temperature, 10-year data-retention retention, and crystallization activation energy, demonstrating the obvious improvement of thermal stability of the amorphous phase. X-ray diffraction and X-ray photoelectron spectroscopy analyses demonstrate that substitution of Zn<sup>2+</sup> with Sm<sup>3+</sup> induces lattice distortion and electronic-structure modulation, thereby suppressing Sb nucleation and refining grain size. These effects also can reduce resistance drift and improve surface smoothness. The optimized composition Sm<sub>0.011</sub>(Zn<sub>15</sub>Sb<sub>85</sub>)<sub>0.989</sub> exhibits the crystallization temperature of 240 °C, 10-year data-retention temperature of 173 °C, and crystallization activation energy of 4.26 eV. T-type phase-change memory cells exhibit reversible SET/RESET behavior with a threshold voltage of 2.33 V and a programming current of only 0.41 μA. This corresponds to a programming power of ∼1 μW, which is 2-3 orders of magnitude lower than that of typical Ge<sub>2</sub>Sb<sub>2</sub>Te<sub>5</sub>-based phase-change memory cells with comparable dimensions. These results demonstrate that Sm-doped Zn<sub>15</sub>Sb<sub>85</sub> is a promising Te-free phase change material for high-temperature and neuromorphic applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110395"},"PeriodicalIF":4.6,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparative study of the electrical, thermal, and reliability behavior of pressure contact technology on SiC chips SiC芯片上压力接触技术的电学、热学和可靠性比较研究
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-29 DOI: 10.1016/j.mssp.2025.110394
Lei Wang , Chenshan Gao , Wenbo Wang , Xiaoqi Li , Gert Rietveld , Raymond J.E. Hueting
Die-attach technologies are essential for the reliability of power devices and therefore the lifetime of power modules. This article explores and compares the electrical, thermal characteristics and reliability of pressure contacts with a molybdenum plate (PCMo) with that of pressure sintered Cu (PSCu), adopted for the high-temperature operation of silicon-carbide (SiC) chips. Samples with these packaging technologies have been manufactured and compared with commercial TO220 counterparts containing the same bare SiC chips. The results of the experimental tests indicate that the pressure contact interfaces exhibit the highest electrical and thermal resistance values (35.3 mΩand 0.54 K/W respectively) due to additional contact resistances, while the sintered layer presents the lowest electrical (20 mΩ) and thermal resistance (0.022 K/W). Under power cycling tests with a junction temperature swing from 50 °C to 200 °C, PCMo samples experience a maximum thermal stress up to 54.1 MPa, which is 13 times higher than that of PSCu. However, PCMo samples present 2 times higher power cycles (∼6000 cycles) than PSCu since cracks and delamination are avoided. The PSCu contact fails due to delamination between the sintered Cu and Ag metallization of the chip. In the TO220 reference samples, cracks initiate from the voids and then propagate outward resulting in failure after ∼3000 cycles. The manufactured PCMo and PSCu samples all survive more cycles than the TO220 samples, indicating the advancements in these emerging die-attach technologies compared to conventional methods.
贴片技术对电源器件的可靠性至关重要,因此对电源模块的寿命也至关重要。本文探讨并比较了用于碳化硅(SiC)芯片高温操作的钼板(PCMo)压力触点与压力烧结铜(PSCu)触点的电学、热学特性和可靠性。已经制造了这些封装技术的样品,并与含有相同裸SiC芯片的商用TO220样品进行了比较。实验结果表明,由于接触电阻的增加,压力接触界面的电阻值和热阻值最高,分别为35.3 mΩand 0.54 K/W,而烧结层的电阻值和热阻值最低,分别为20 mΩ和0.022 K/W。在结温从50°C到200°C的功率循环测试中,PCMo样品的最大热应力高达54.1 MPa,是PSCu的13倍。然而,PCMo样品的功率周期(~ 6000周期)比PSCu高2倍,因为避免了裂纹和分层。由于芯片的烧结Cu和Ag金属化之间的分层,PSCu接触失效。在TO220参考样品中,裂纹从孔洞开始,然后向外扩展,在~ 3000次循环后导致失效。制造的PCMo和PSCu样品都比TO220样品存活的周期更长,这表明与传统方法相比,这些新兴的模贴接技术取得了进步。
{"title":"Comparative study of the electrical, thermal, and reliability behavior of pressure contact technology on SiC chips","authors":"Lei Wang ,&nbsp;Chenshan Gao ,&nbsp;Wenbo Wang ,&nbsp;Xiaoqi Li ,&nbsp;Gert Rietveld ,&nbsp;Raymond J.E. Hueting","doi":"10.1016/j.mssp.2025.110394","DOIUrl":"10.1016/j.mssp.2025.110394","url":null,"abstract":"<div><div>Die-attach technologies are essential for the reliability of power devices and therefore the lifetime of power modules. This article explores and compares the electrical, thermal characteristics and reliability of pressure contacts with a molybdenum plate (PCMo) with that of pressure sintered Cu (PSCu), adopted for the high-temperature operation of silicon-carbide (SiC) chips. Samples with these packaging technologies have been manufactured and compared with commercial TO220 counterparts containing the same bare SiC chips. The results of the experimental tests indicate that the pressure contact interfaces exhibit the highest electrical and thermal resistance values (35.3 <span><math><mrow><mi>m</mi><mi>Ω</mi><mspace></mspace><mtext>and</mtext></mrow></math></span> 0.54 K/W respectively) due to additional contact resistances, while the sintered layer presents the lowest electrical (20 <span><math><mrow><mi>m</mi><mi>Ω</mi></mrow></math></span>) and thermal resistance (0.022 K/W). Under power cycling tests with a junction temperature swing from 50 <span><math><mrow><mo>°C</mo></mrow></math></span> to 200 <span><math><mrow><mo>°C</mo><mtext>,</mtext></mrow></math></span> PCMo samples experience a maximum thermal stress up to 54.1 MPa, which is 13 times higher than that of PSCu. However, PCMo samples present 2 times higher power cycles (∼6000 cycles) than PSCu since cracks and delamination are avoided. The PSCu contact fails due to delamination between the sintered Cu and Ag metallization of the chip. In the TO220 reference samples, cracks initiate from the voids and then propagate outward resulting in failure after ∼3000 cycles. The manufactured PCMo and PSCu samples all survive more cycles than the TO220 samples, indicating the advancements in these emerging die-attach technologies compared to conventional methods.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110394"},"PeriodicalIF":4.6,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881073","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Metal oxide-modified WS2/WSe2 in-plane heterojunctions for selective detection of thermal runaway gases in LIBs: A DFT+U study 金属氧化物修饰的WS2/WSe2平面异质结用于LIBs中热失控气体的选择性检测:DFT+U研究
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-27 DOI: 10.1016/j.mssp.2025.110387
Hang Zhao , Min Huang , Hao Cui , Zhiming Shi , Mingjin Yang
Thermal runaway in lithium-ion batteries (LIBs) releases reactive gases that threaten device safety but can also serve as early diagnostic indicators when detected in time. Here, density functional theory (DFT + U) calculations were employed to elucidate the adsorption and sensing mechanisms of CuO- and NiO-modified WS2/WSe2 in-plane heterostructures toward key thermal-runaway gases (H2, CO, CO2, CH4, C2H2, and C2H4). Adsorption energetics, charge redistribution, electronic and optical responses, and recovery kinetics were analyzed to uncover interfacial interactions governing gas detection. Both oxide-modified heterostructures exhibit excellent thermal stability and enhanced conductivity, with band gaps reduced to 1.65 eV (CuO) and 1.24 eV (NiO). Oxide incorporation markedly improves selectivity and sensitivity toward CO, C2H2, and C2H4, while maintaining weak physisorption for H2, CO2, and CH4. Recovery analysis reveals that CuO-WS2/WSe2 acts as an irreversible gas scavenger, whereas NiO-WS2/WSe2 enables fast, reversible sensing with short recovery times (7.57 s for C2H2 and 4.99 s for C2H4 at 498 K) and high sensitivities (126 % and 714 %). These findings provide atomic-level insight into oxide-TMD coupling and establish design principles for selective, dual-mode (electrical-optical) gas sensors aimed at early detection of LIB thermal runaway.
锂离子电池(lib)的热失控会释放出威胁设备安全的反应性气体,但如果及时发现,也可以作为早期诊断指标。本文采用密度泛函理论(DFT + U)计算分析了CuO-和nio -修饰的WS2/WSe2平面异质结构对关键热失控气体(H2、CO、CO2、CH4、C2H2和C2H4)的吸附和传感机理。分析了吸附能量学、电荷再分配、电子和光学响应以及回收动力学,以揭示控制气体检测的界面相互作用。两种氧化物修饰异质结构均表现出优异的热稳定性和导电性,带隙分别减小到1.65 eV (CuO)和1.24 eV (NiO)。氧化物的加入显著提高了对CO、C2H2和C2H4的选择性和敏感性,同时保持了对H2、CO2和CH4的弱物理吸附。回收分析表明,CuO-WS2/WSe2是一种不可逆的气体清除剂,而NiO-WS2/WSe2具有快速、可逆的传感能力,回收时间短(在498 K下,C2H2和C2H4分别为7.57 s和4.99 s),灵敏度高(126%和714%)。这些发现提供了对氧化物- tmd耦合的原子水平的洞察,并建立了旨在早期检测LIB热失控的选择性双模(电光)气体传感器的设计原则。
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引用次数: 0
The effect of indium on the growth mechanism of interfacial intermetallic compounds during the wetting of Zn-3Al /Cu Zn-3Al /Cu润湿过程中,铟对界面金属间化合物生长机理的影响
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-27 DOI: 10.1016/j.mssp.2025.110392
Huihui Zhang , Zhefeng Xu , Satoshi Motozuka , Yan Wang , Caili Tian , Yueming Li , Changzeng Fan
This study investigates the influence of indium (In) addition on the properties of a near-eutectic Zn-3wt.%Al (Zn-3Al) alloy and the growth mechanism of intermetallic compounds (IMCs) at its interface with a Cu substrate. Zn-3Al-xIn (x = 0, 1.0, 3.0, 5.0 wt%) alloys with varying In contents were prepared via casting. The microstructure, thermal properties, wettability, and interfacial IMC growth behavior with the Cu substrate were characterized. Results indicate that In addition leads to the formation of two precipitate phases: an In-rich phase and a α-Al phase—at the grain boundaries of the matrix. The In-rich phase primarily precipitates adjacent to the α-Al phase. Concurrently, In addition lowers the alloy's melting point. At 3 wt% In, the precipitate phases exhibit a relatively uniform distribution and refined size, and the solder alloy demonstrates optimal wettability. In addition also induces the precipitation of In-rich phases at the solder/Cu substrate interface. These phases obstruct Zn/Cu interdiffusion pathways, thereby increasing the diffusion activation energy (Q). Furthermore, through a pinning effect, the In-rich phases suppress elemental diffusion and reduce the migration rate constant (k0), inhibiting interfacial IMC growth. However, excessive In addition (5 wt%) causes coarsening of the precipitate phases. This coarsening diminishes the pinning density and reduces Q, weakening the inhibitory effect. Consequently, In addition effectively enhances the wettability of the Zn-3Al solder alloy, suppresses interfacial IMC growth, and improves solder joint reliability, with optimal performance achieved at 3 wt% In.
本文研究了添加铟对近共晶Zn-3wt性能的影响。研究了%Al (Zn-3Al)合金及其与Cu基体界面金属间化合物(IMCs)生长机理。采用铸造法制备了不同In含量的Zn-3Al-xIn (x = 0、1.0、3.0、5.0 wt%)合金。表征了Cu衬底的微观结构、热性能、润湿性和界面IMC生长行为。结果表明:在基体晶界处形成了富In相和α-Al相两种析出相;富in相主要在α-Al相附近析出。同时,还降低了合金的熔点。在3 wt% In时,析出相分布相对均匀,尺寸细化,钎料合金具有最佳润湿性。此外,钎料/Cu衬底界面处还会析出富In相。这些相阻碍了Zn/Cu的相互扩散途径,从而增加了扩散活化能(Q)。此外,通过钉住效应,富in相抑制元素扩散,降低迁移速率常数(k0),抑制界面IMC生长。然而,过量的添加剂(5wt %)会使析出相变粗。这种粗化使钉钉密度降低,Q值降低,抑制作用减弱。此外,还能有效提高Zn-3Al钎料合金的润湿性,抑制界面IMC生长,提高焊点可靠性,在3 wt% In时达到最佳性能。
{"title":"The effect of indium on the growth mechanism of interfacial intermetallic compounds during the wetting of Zn-3Al /Cu","authors":"Huihui Zhang ,&nbsp;Zhefeng Xu ,&nbsp;Satoshi Motozuka ,&nbsp;Yan Wang ,&nbsp;Caili Tian ,&nbsp;Yueming Li ,&nbsp;Changzeng Fan","doi":"10.1016/j.mssp.2025.110392","DOIUrl":"10.1016/j.mssp.2025.110392","url":null,"abstract":"<div><div>This study investigates the influence of indium (<em>In</em>) addition on the properties of a near-eutectic Zn-3wt.%Al (Zn-3Al) alloy and the growth mechanism of intermetallic compounds (IMCs) at its interface with a Cu substrate. Zn-3Al-xIn (x = 0, 1.0, 3.0, 5.0 wt%) alloys with varying <em>In</em> contents were prepared via casting. The microstructure, thermal properties, wettability, and interfacial IMC growth behavior with the Cu substrate were characterized. Results indicate that <em>In</em> addition leads to the formation of two precipitate phases: an In-rich phase and a α-Al phase—at the grain boundaries of the matrix. The In-rich phase primarily precipitates adjacent to the α-Al phase. Concurrently, <em>In</em> addition lowers the alloy's melting point. At 3 wt% <em>In</em>, the precipitate phases exhibit a relatively uniform distribution and refined size, and the solder alloy demonstrates optimal wettability. <em>In</em> addition also induces the precipitation of In-rich phases at the solder/Cu substrate interface. These phases obstruct Zn/Cu interdiffusion pathways, thereby increasing the diffusion activation energy (Q). Furthermore, through a pinning effect, the In-rich phases suppress elemental diffusion and reduce the migration rate constant (k<sub>0</sub>), inhibiting interfacial IMC growth. However, excessive <em>In</em> addition (5 wt%) causes coarsening of the precipitate phases. This coarsening diminishes the pinning density and reduces Q, weakening the inhibitory effect. Consequently, <em>In</em> addition effectively enhances the wettability of the Zn-3Al solder alloy, suppresses interfacial IMC growth, and improves solder joint reliability, with optimal performance achieved at 3 wt% <em>In</em>.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110392"},"PeriodicalIF":4.6,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145841063","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Corrigendum to “Effects of replacing Cu with Ni and Ni-Zn on the structural, magnetic, and thermoelectric properties of the solution-processed Cu12Sb4S13 tetrahedrites” [Mater. Sci. Semicond. Proc. 198 (2025), 109803] “用Ni和Ni- zn取代Cu对溶液处理Cu12Sb4S13四面体的结构、磁性和热电性能的影响”的更正[Mater]。科学。Semicond。Proc. 198 (2025), 109803]
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-27 DOI: 10.1016/j.mssp.2025.110369
Oleksandr Dobrozhan , Roman Pshenychnyi , Maksym Yermakov , Bohdan Boiko , Vladimír Tkáč , Serhii Vorobiov , Anatoliy Opanasyuk
{"title":"Corrigendum to “Effects of replacing Cu with Ni and Ni-Zn on the structural, magnetic, and thermoelectric properties of the solution-processed Cu12Sb4S13 tetrahedrites” [Mater. Sci. Semicond. Proc. 198 (2025), 109803]","authors":"Oleksandr Dobrozhan ,&nbsp;Roman Pshenychnyi ,&nbsp;Maksym Yermakov ,&nbsp;Bohdan Boiko ,&nbsp;Vladimír Tkáč ,&nbsp;Serhii Vorobiov ,&nbsp;Anatoliy Opanasyuk","doi":"10.1016/j.mssp.2025.110369","DOIUrl":"10.1016/j.mssp.2025.110369","url":null,"abstract":"","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110369"},"PeriodicalIF":4.6,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939374","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Optimization of periodic thickness on interface roughness in AlAs0.07Sb/AlSb superlattices AlAs0.07Sb/AlSb超晶格界面粗糙度的周期厚度优化
IF 4.6 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-27 DOI: 10.1016/j.mssp.2025.110378
Le Qin , Renjie Wen , Jinyu Zhang , Jiaxin Yue , Fanlong Meng , Leran Zhao , Caixia Song , Zhongshan Zhang , Wenxin Wang , Hong Chen , Zhen Deng
Superlattices composed of AlAs0.07Sb/AlSb have been successfully grown on GaSb substrates by the molecular beam epitaxy technique, which are suitable for use as barrier layers in nBn or pBn type InAsSb-based mid-wavelength infrared detectors. In order to improve carrier transport efficiency, it is important to carefully optimize the interface roughness layer of the barrier. In this study, we report a method to optimize the interface roughness of the superlattice barrier layer. We focus on optimizing the superlattice period thickness to improve the interface atomic migration state and achieve a smooth interface morphology for potential infrared detector applications. The roughness of the upper and lower interfaces of the superlattice can be effectively reduced by controlling the period thickness to 2.47 nm. The roughness of the upper and lower interfaces measured by X-ray reflectivity (XRR) is 0.589 nm and 0.732 nm, respectively. In addition, the reciprocal space mappings (RSM) of the (004) and (224) planes of AlAs0.07Sb/AlSb superlattices show that the strain relaxation state of the superlattices grown at 480 °C is completely strained and no misfit dislocations are generated, thus resulting in excellent crystalline quality. This systematic method provides valuable insights for the fabrication of high-performance barrier mid-wavelength infrared detectors grown on GaSb substrates.
利用分子束外延技术在GaSb衬底上成功地生长出了由AlAs0.07Sb/AlSb组成的超晶格,该超晶格适合用作nBn或pBn型inassb基中波红外探测器的势垒层。为了提高载流子输运效率,对势垒的界面粗糙度层进行优化是十分重要的。在这项研究中,我们报告了一种优化超晶格势垒层界面粗糙度的方法。我们的重点是优化超晶格周期厚度,以改善界面原子迁移状态,并为潜在的红外探测器应用实现光滑的界面形态。将周期厚度控制在2.47 nm,可以有效地降低超晶格上下界面的粗糙度。x射线反射率(XRR)测量的上下界面粗糙度分别为0.589 nm和0.732 nm。另外,AlAs0.07Sb/AlSb超晶格的(004)面和(224)面互易空间映射(RSM)表明,在480℃下生长的超晶格的应变松弛状态是完全应变的,没有产生错配位错,从而获得了优异的晶体质量。这种系统的方法为在GaSb衬底上生长的高性能势垒中波长红外探测器的制造提供了有价值的见解。
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Materials Science in Semiconductor Processing
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