Pub Date : 2026-01-03DOI: 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.
{"title":"Fabrication of novel goethite analogues photocatalyst with enriched oxygen vacancies and Fe2+/Fe3+ cycle sites for peroxymonosulfate activation: A synergistic catalytic for ofloxacin degradation","authors":"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","doi":"10.1016/j.mssp.2025.110404","DOIUrl":"10.1016/j.mssp.2025.110404","url":null,"abstract":"<div><div>The sluggish surface reaction kinetics and the unclear synergistic catalytic mechanism of oxygen vacancies and Fe<sup>2+</sup>/Fe<sup>3+</sup> 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 Fe<sup>2+</sup>/Fe<sup>3+</sup> 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 (SO<sub>4</sub><sup>∙-</sup>, ∙OH, ∙O<sub>2</sub><sup>-</sup> and <sup>1</sup>O<sub>2</sub>) could be contemporaneously generated in G-0.05/PMS/Vis system and SO<sub>4</sub><sup>∙-</sup>, ∙O<sub>2</sub><sup>-</sup> and <sup>1</sup>O<sub>2</sub> 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 Fe<sup>2+</sup>/Fe<sup>3+</sup> 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.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110404"},"PeriodicalIF":4.6,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145939372","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}
Pub Date : 2025-12-31DOI: 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.
{"title":"Tailoring structural, optical, and electrochemical properties of Mn-doped SnS nanoparticles via a facile Co-precipitation route","authors":"Veerapandiyan Arumugam , P. Elaiyaraja , M. Dhilip , I. Devadoss , A. Krishnamoorthy , P. Sakthivel","doi":"10.1016/j.mssp.2025.110374","DOIUrl":"10.1016/j.mssp.2025.110374","url":null,"abstract":"<div><div>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 Sn<sub>2</sub>S<sub>3</sub> phase, as evidenced by the significant Ag vibrational modes at 225 cm<sup>−1</sup> and an additional peak at 307 cm<sup>−1</sup>. 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.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110374"},"PeriodicalIF":4.6,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881144","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}
Pub Date : 2025-12-31DOI: 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.
{"title":"Molecular beam epitaxy growth of high-quality, lattice-matched InAsSb on GaSb substrates","authors":"You MingHui , Meng Yinxia , Li Lin , Li Zhanguo","doi":"10.1016/j.mssp.2025.110381","DOIUrl":"10.1016/j.mssp.2025.110381","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110381"},"PeriodicalIF":4.6,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881076","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}
Pub Date : 2025-12-29DOI: 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.
{"title":"A first-principles study on perovskite-based heterojunction SnS/CsPbBr3 used for photovoltaics","authors":"Junli Chang , Yuhan Wang , Peng Wang , Guangzhao Wang , Yeesin Ang","doi":"10.1016/j.mssp.2025.110393","DOIUrl":"10.1016/j.mssp.2025.110393","url":null,"abstract":"<div><div>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/CsPbBr<sub>3</sub> 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/CsPbBr<sub>3</sub> 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 CsPbBr<sub>3</sub>. Hence, the SnS/CsPbBr<sub>3</sub> 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/CsPbBr<sub>3</sub> 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.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110393"},"PeriodicalIF":4.6,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145881074","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}
Pub Date : 2025-12-29DOI: 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.
{"title":"High-performance Smx(Zn15Sb85) 1-x thin film on silicon substrate for phase-change memory application","authors":"Zhichao Qi , Yu Li , Zhengquan Zhou , 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}
Pub Date : 2025-12-29DOI: 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 0.54 K/W respectively) due to additional contact resistances, while the sintered layer presents the lowest electrical (20 ) and thermal resistance (0.022 K/W). Under power cycling tests with a junction temperature swing from 50 to 200 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.
{"title":"Comparative study of the electrical, thermal, and reliability behavior of pressure contact technology on SiC chips","authors":"Lei Wang , Chenshan Gao , Wenbo Wang , Xiaoqi Li , Gert Rietveld , 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}
Pub Date : 2025-12-27DOI: 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。
{"title":"Metal oxide-modified WS2/WSe2 in-plane heterojunctions for selective detection of thermal runaway gases in LIBs: A DFT+U study","authors":"Hang Zhao , Min Huang , Hao Cui , Zhiming Shi , Mingjin Yang","doi":"10.1016/j.mssp.2025.110387","DOIUrl":"10.1016/j.mssp.2025.110387","url":null,"abstract":"<div><div>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 + <em>U</em>) calculations were employed to elucidate the adsorption and sensing mechanisms of CuO- and NiO-modified WS<sub>2</sub>/WSe<sub>2</sub> in-plane heterostructures toward key thermal-runaway gases (H<sub>2</sub>, CO, CO<sub>2</sub>, CH<sub>4</sub>, C<sub>2</sub>H<sub>2</sub>, and C<sub>2</sub>H<sub>4</sub>). 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, C<sub>2</sub>H<sub>2</sub>, and C<sub>2</sub>H<sub>4</sub>, while maintaining weak physisorption for H<sub>2</sub>, CO<sub>2</sub>, and CH<sub>4</sub>. Recovery analysis reveals that CuO-WS<sub>2</sub>/WSe<sub>2</sub> acts as an irreversible gas scavenger, whereas NiO-WS<sub>2</sub>/WSe<sub>2</sub> enables fast, reversible sensing with short recovery times (7.57 s for C<sub>2</sub>H<sub>2</sub> and 4.99 s for C<sub>2</sub>H<sub>4</sub> 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.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110387"},"PeriodicalIF":4.6,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145841058","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}
Pub Date : 2025-12-27DOI: 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.
{"title":"The effect of indium on the growth mechanism of interfacial intermetallic compounds during the wetting of Zn-3Al /Cu","authors":"Huihui Zhang , Zhefeng Xu , Satoshi Motozuka , Yan Wang , Caili Tian , Yueming Li , 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}
Pub Date : 2025-12-27DOI: 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 , Roman Pshenychnyi , Maksym Yermakov , Bohdan Boiko , Vladimír Tkáč , Serhii Vorobiov , 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}
Pub Date : 2025-12-27DOI: 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.
{"title":"Optimization of periodic thickness on interface roughness in AlAs0.07Sb/AlSb superlattices","authors":"Le Qin , Renjie Wen , Jinyu Zhang , Jiaxin Yue , Fanlong Meng , Leran Zhao , Caixia Song , Zhongshan Zhang , Wenxin Wang , Hong Chen , Zhen Deng","doi":"10.1016/j.mssp.2025.110378","DOIUrl":"10.1016/j.mssp.2025.110378","url":null,"abstract":"<div><div>Superlattices composed of AlAs<sub>0.07</sub>Sb/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 AlAs<sub>0.07</sub>Sb/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.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110378"},"PeriodicalIF":4.6,"publicationDate":"2025-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145841060","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}