Xiaoting Chen , Xiaoyu Wang , Long Zhang , Junying Song , Qingbin Guo , Dengzheng Gao , Li Wang , Xiaolong Hu
{"title":"Construction of S-scheme MoS2/g-C3N4 heterojunction on halloysite nanotubes for effective photocatalytic tetracycline degradation and H2 production","authors":"Xiaoting Chen , Xiaoyu Wang , Long Zhang , Junying Song , Qingbin Guo , Dengzheng Gao , Li Wang , Xiaolong Hu","doi":"10.1016/j.mssp.2026.110464","DOIUrl":"10.1016/j.mssp.2026.110464","url":null,"abstract":"<div><div>In this study, a novel S-scheme MoS<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub>/halloysite ternary photocatalyst was successfully synthesized by high-temperature calcination method and one-pot hydrothermal strategy for photocatalytic tetracycline (TC) degradation and H<sub>2</sub> evolution under visible light irradiation. The result revealed that MoS<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub>/halloysite-70% exhibited significantly enhanced photocatalytic performance for TC degradation, with an efficiency of up to 91.6% within 180 min. The corresponding reaction rate constant was 0.00988 min<sup>−1</sup>, which was 2.74 and 3.87 times higher than that of pure MoS<sub>2</sub> (0.0036 min<sup>−1</sup>) and g-C<sub>3</sub>N<sub>4</sub> (0.00255 min<sup>−1</sup>), respectively. Meanwhile, under simulated visible light conditions, MoS<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub>/halloysite-70% exhibited the highest H<sub>2</sub> production rate (494.2 μmol g<sup>−1</sup> h<sup>−1</sup>), which was approximately 5.84 times and 2.83 times higher than that of g-C<sub>3</sub>N<sub>4</sub> and MoS<sub>2</sub>, respectively. The unique S-scheme MoS<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub> heterojunction structure and the introduction of halloysite support were responsible for the notable enhancement of photocatalytic activity, primarily by promoting the separation and migration of photogenerated charge carriers, improving the light response capacity and retaining the higher redox ability. Furthermore, the intermediates of TC photocatalyzed by MoS<sub>2</sub>/g-C<sub>3</sub>N<sub>4</sub>/halloysite were identified via LC-MS. This study provides a new strategy for efficient photocatalytic H<sub>2</sub> production and wastewater treatment based on the combination of mineral carrier and S-scheme heterojunction.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110464"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081137","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}
Sheng Bi , Dao-Hang Li , Can-Pu Wang , Zemin Bu , Yun-Hui Mei
{"title":"Reliability design of power modules: multi time sequence simulation of soldering warpage deformation and fatigue life prediction of solder layers","authors":"Sheng Bi , Dao-Hang Li , Can-Pu Wang , Zemin Bu , Yun-Hui Mei","doi":"10.1016/j.mssp.2026.110474","DOIUrl":"10.1016/j.mssp.2026.110474","url":null,"abstract":"<div><div>This paper mainly proposes a power module life prediction method based on the “testing – modeling – simulation – prediction” framework. Firstly, a multi time sequence simulation method for soldering warpage deformation and residual stress in power modules has been established, which is based on the Anand viscoplastic constitutive model. This approach resolves issues of warpage assessment deviation and abnormal localization of maximum residual stress caused by inaccurate material parameters. Secondly, a technical system encompassing “finite element modeling – identification of weak regions – extraction of damage parameters – fatigue life prediction” has been developed for power modules, providing crucial technical support for reliability assessment of power modules. Thirdly, a non-contact strain measurement technique based on the Digital Image Correlation method has been developed, along with the concurrent establishment of a supporting experimental platform. This effectively addresses the systematic errors caused by backlash in traditional displacement-controlled fatigue testing, as well as the technical bottleneck of insufficient measurement accuracy associated with contact-type mechanical extensometers.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110474"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081129","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}
Chi Wang , Tianxi Yang , Yijian Zhou , Jiawei Yuan , Chenglong Guo , Xiongtu Zhou , Jie Sun , Qun Yan
{"title":"A metal micro-dot array-based alignment-free flip-chip bonding technique for Micro-LED display fabrication","authors":"Chi Wang , Tianxi Yang , Yijian Zhou , Jiawei Yuan , Chenglong Guo , Xiongtu Zhou , Jie Sun , Qun Yan","doi":"10.1016/j.mssp.2026.110466","DOIUrl":"10.1016/j.mssp.2026.110466","url":null,"abstract":"<div><div>Because of their remarkable performance, Micro-LEDs have attracted a lot of attention in the display sector in recent years. This has driven the development of devices towards smaller sizes and higher pixel densities, but it has also introduced difficult fabrication problems. Standard flip-chip bonding technology poses very strict requirement the precise alignment of ultra-high pixel density Micro-LEDs to their driver substrates during the bonding, whereas typical wafer bonding techniques need high temperatures and pressures. In order to overcome these obstacles, we propose a novel method that uses a high-density metal micro-dot array with a spot size of 2 μm and a pitch of 4 μm to achieve alignment-free bonding under low-temperature and low-pressure conditions. This method enables the fabrication of Micro-LED devices with a pixel size of 6 μm and a pitch of 9 μm. According to experimental results, a 100 % bonding yield was achieved at 225 °C and 75 N, which are much lower than those reported by literature, respectively. The viability of low-temperature, low-pressure alignment-free bonding for the fabrication of ultra-high pixel-density Micro-LED devices has been effectively confirmed by this study.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110466"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081213","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}
{"title":"Enhancing stability and luminescence of CsPbBr3 nanocrystals by mesoporous SiO2 nanoconfinement and molten salt flux assist","authors":"Wen Wang, Renjie Ru, Yu Fu, Shulin Duan, Haiqing Sun, Jianxu Ding, Rui Liu, Huiling Zhu, Xiaoyuan Zhan, Weiwei Zhang","doi":"10.1016/j.mssp.2026.110501","DOIUrl":"10.1016/j.mssp.2026.110501","url":null,"abstract":"<div><div>Perovskite nanocrystals (PNCs) have emerged as a research focus in optoelectronics due to their exceptional optical properties, including tunable direct bandgaps, broad spectral absorption, and high chromatic purity. However, PNCs are susceptible to degradation under environmental humidity, sustained illumination, or elevated temperatures. This instability hinders their practical application in commercial optoelectronic devices. Covering the surface of PNCs with a layer of silica can enable their spatial immobilization and protect them from environmental influences, thereby maintaining their dispersibility and optical activity. In this work, CsPbBr<sub>3</sub> PNCs were coated with mesoporous SiO<sub>2</sub> via solid-state reaction, yielding a high photoluminescence quantum yield (PLQY) of 84.54%. To achieve the photoluminescence effect at relatively low temperatures, molten salts of K<sub>2</sub>CO<sub>3</sub> and NaBr were added to seal the pores of silica. Notably, good dispersibility of the coated PNCs in poly methyl methacrylate (PMMA) enables the fabrication of flexible films, while their excellent luminescent properties allow for the preparation of anti-counterfeiting inks and light-emitting diode (LED) devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110501"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190636","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}
Yanpu Li , Zelong Qing , Shiyu Cao , Bo Liu , Yi Zhang
{"title":"Low-loss and high-quality slicing of conductive 4H-SiC wafers with a multi-focus picosecond laser","authors":"Yanpu Li , Zelong Qing , Shiyu Cao , Bo Liu , Yi Zhang","doi":"10.1016/j.mssp.2026.110483","DOIUrl":"10.1016/j.mssp.2026.110483","url":null,"abstract":"<div><div>Laser-induced modification slicing has emerged as a promising technique for efficient and low-loss manufacturing of SiC wafers by leveraging controlled crack propagation. However, precise control of material loss remains challenging, especially for conductive 4H-SiC, where a ∼4° offset between the crystal plane and wafer surface triggers inclined crack propagation. Additionally, the laser self-focusing often induces high-loss multilayer structures, further complicating material removal. This study develops a low-loss slicing process for conductive 4H-SiC wafers using a multi-focus picosecond laser, with a systematic study on the laser parameters, scanning strategies, and crack behavior. Beginning with single-line scanning experiments, the influence of laser self-focusing on the laser modified structures was analyzed, revealing how pulse energy and scanning velocity drive the transition of modified structures from discrete spots to multi-layer clusters. Subsequently, area-scanning experiments were conducted to study the effects of scanning track interval, pulse energy, and scanning velocity on transverse crack propagation and inter-track coupling. By implementing a four-focus laser array combined with a multiple scanning strategy, the connectivity of transverse cracks was significantly improved, thereby substantially reducing the stress required for separation. By optimizing the number of scanning times, a slicing outcome was achieved with a tensile stress of 0.7 MPa and a separated surface roughness below 2 μm. After polishing, the total material loss was controlled to less than 50 μm. This work provides a reliable technical and theoretical foundation for low-loss, high-quality SiC wafer slicing.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110483"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190622","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}
A.M. Ali , Ahmed E. Hannora , M.M. El-Desoky , Amany E. Harby
{"title":"Multifunctional Ferroelectric–Ferromagnetic behavior and high energy storage density in ball-milled nanostructured KNbO3–Bi2O3–Fe2O3 for capacitive energy storage","authors":"A.M. Ali , Ahmed E. Hannora , M.M. El-Desoky , Amany E. Harby","doi":"10.1016/j.mssp.2026.110497","DOIUrl":"10.1016/j.mssp.2026.110497","url":null,"abstract":"<div><div>The mixed powders of KNbO<sub>3</sub>, Bi<sub>2</sub>O<sub>3</sub> and Fe<sub>2</sub>O<sub>3</sub> (mixed in a 1:1:1 M ratio) were prepared using the ball mill technique. XRD patterns and HR-TEM at room temperature were investigated. XRD analysis of the samples showed that four phases were present in the formations, which are BiFeO<sub>3</sub>, K<sub>2</sub>FeO<sub>4</sub>, KBi<sub>2</sub>Nb<sub>5</sub>O<sub>16</sub> and Bi<sub>1.82</sub>K<sub>0.18</sub>O<sub>2.82</sub>. Dielectric permittivity was measured for the HT 8h sample as a function of both frequency & temperature. Two dielectric peaks appeared at 313 K and 618 K; the appearance of two dielectric peaks is attributed to the multiphase nature of the ceramic. The low-temperature anomaly (∼313 K) originates from local structural rearrangements and domain-wall dynamics within the perovskite-related ferroelectric network, whereas the high-temperature peak (∼618 K) corresponds to the effective ferroelectric–paraelectric transition near the Curie temperature of the composite system. A variety of electrical properties, including conductivity, modulus, and impedance, were examined throughout a broad frequency range (5 kHz – 1000 kHz) as well as temperature range (296 –675 K). The electric polarization vs. the electric (P–E) hysteresis loop investigations showed a 29.5 J/cm<sup>3</sup> energy storage density at T = 423 K. The results of VSM showed the presence of weak ferromagnetic behavior for TH 8h sample at room temperature. A novel multifunctional material that simultaneously exhibits enhanced ferroelectric and ferromagnetic properties was achieved by combining KNbO<sub>3</sub> and BiFeO<sub>3</sub>. The synergistic interaction between the two components aims to improve both dielectric and magnetic performances, making the composite promising for multifunctional and energy storage applications. Therefore, we believe that the TH 8h sample is a good candidate for applications involving capacitive energy storage.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110497"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190693","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}
Hamza Ighnih , Hassan Ouachtak , Amane Jada , Abdelaziz Ait Addi
{"title":"Construction of BiOBr/g-C3N4/Kaolinite Z-scheme heterojunction photocatalysts for highly efficient photocatalytic degradation of organic pollutants","authors":"Hamza Ighnih , Hassan Ouachtak , Amane Jada , Abdelaziz Ait Addi","doi":"10.1016/j.mssp.2026.110478","DOIUrl":"10.1016/j.mssp.2026.110478","url":null,"abstract":"<div><div>The main challenge for sustainability and green environmental is developing efficient advanced materials for photocatalytic applications. In this study, we designed a new ternary hybrid photocatalyst based on BiOBr, g-C<sub>3</sub>N<sub>4</sub>, and kaolinite. This nanocomposite was employed for degrading toxic RhB dye through photocatalysis under sunlight exposure. This materials were thoroughly characterized using advanced techniques including XRD, FTIR, SEM, TEM, EDS, DRS, and XPS to investigate their structural, microstructural, optical, and spectroscopic properties. Photocatalytic performance studies revealed that RhB dye was completely removed within 20 min of irradiation. The degradation efficiency was 8.44 and 5.60 times higher than that of g-C<sub>3</sub>N<sub>4</sub> and BiOBr, respectively. A direct Z-Scheme charge transfer pathway is proposed, supported by DRS, and further confirmed by radical scavenging experiments. Furthermore, the composite exhibited excellent stability, maintaining its performance over five reuse cycles. This work highlights a promising strategy for practical large-scale wastewater treatment using sunlight-driven photocatalysis.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110478"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190695","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}
{"title":"High-throughput investigation of electroepitaxial growth of Cu2O on Cu substrates","authors":"Yu-Hsuan Hsiao, Da-Jin Dai, Liuwen Chang","doi":"10.1016/j.mssp.2026.110468","DOIUrl":"10.1016/j.mssp.2026.110468","url":null,"abstract":"<div><div>The present study investigates epitaxial growth of Cu<sub>2</sub>O on Cu through electrochemical deposition using a high-throughput method. It used a combinatorial substrate approach involving polycrystalline Cu substrates followed by verification tests involving single-crystal substrates to clarify the effects of electrolyte composition, pH, current density, and substrate orientation on the electroepitaxy of Cu<sub>2</sub>O. The electron backscatter diffraction technique was used to analyze both the orientation and crystallinity of Cu<sub>2</sub>O. The results reveal that electrolyte pH, current density, and substrate orientation are all critical factors governing Cu<sub>2</sub>O electroepitaxy. Two reported epitaxial orientation relationships (ORs), (001)<sub>Cu2O</sub>//(001)<sub>Cu</sub>, [010]<sub>Cu2O</sub>//[010]<sub>Cu</sub> and (111)<sub>Cu2O</sub>//(111)<sub>Cu</sub>, [1–10]<sub>Cu2O</sub>//[0–11]<sub>Cu</sub>, were associated with a new OR of (111)<sub>Cu2O</sub>//(001)<sub>Cu</sub>, [1–10]<sub>Cu2O</sub>//[1–10]<sub>Cu</sub>. Epilayers with (111) and (110) orientations, free of twin variants and secondary orientations, were obtained in two electrolytes at 0.25 mA/cm<sup>2</sup> in accordance with the established OR maps. Among these, the (110) Cu<sub>2</sub>O epilayers exhibited the highest crystallinity, with a rocking curve FWHM of 0.97–1.05°, surpassing all previously reported electrochemically deposited epilayers. Furthermore, the correlation established between EBSD-derived average orientation spread and XRD rocking curve FWHM demonstrates that EBSD can assess not only the orientations of the substrate and epilayer but also their crystallinity.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110468"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190696","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}
Mingyu Jia , Yuanyuan Liu , Shuting Li , Xiaoxia Chen , Changkun Cai , Shengli An
{"title":"Unraveling the variation mechanism of ionic conductivity of Gd-doped ceria electrolyte under hydrogen atmosphere: A combined experimental and first-principles study","authors":"Mingyu Jia , Yuanyuan Liu , Shuting Li , Xiaoxia Chen , Changkun Cai , Shengli An","doi":"10.1016/j.mssp.2025.110367","DOIUrl":"10.1016/j.mssp.2025.110367","url":null,"abstract":"<div><div>Gd<sub>2</sub>O<sub>3</sub>-doped CeO<sub>2</sub> (GDC) is regarded as a promising electrolyte material for Intermediate-Temperature Solid Oxide Fuel Cells (IT-SOFCs) due to its excellent ionic conductivity. However, under SOFC operating conditions, the reduction of Ce<sup>4+</sup> leads to electron leakage and decreased stability, which limit its application. This study investigates the effects of different Gd<sup>3+</sup> doping concentrations on the total conductivity and electronic conductivity of the GDC electrolyte under a hydrogen atmosphere, utilizing impedance spectroscopy and the Hebb-Wagner method. Additionally, first-principles calculations were combined to elucidate the reduction mechanism of Ce<sup>4+</sup> in a hydrogen environment. The results show that Gd<sup>3+</sup> doping significantly enhances the total conductivity of the electrolyte while suppressing the electronic conductivity. The total conductivity reached its maximum value at x = 0.20, which was 9.92 × 10<sup>−2</sup> S cm<sup>−1</sup> at 750 °C. At the same time, the electronic conductivity reached its minimum value, which was 1.25 × 10<sup>−7</sup> S cm<sup>−1</sup>, indicating optimal ion conduction under the conditions of this study.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110367"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190698","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}
{"title":"First-principles study of strain effects on Zn vacancies and H-interstitial ZnO(001) monolayers: Mg-induced photovoltaic and antiferromagnetic behaviour","authors":"Qingyu Hou , Hailan Li , Wen Ma , Zhenchao Xu","doi":"10.1016/j.mssp.2026.110470","DOIUrl":"10.1016/j.mssp.2026.110470","url":null,"abstract":"<div><div>The identification of photovoltaic infrared effect materials is pivotal for realising highly efficient thermophotovoltaic devices. Secondly, this study aims to resolve the ferromagnetic properties erroneously reported in prior research [International Journal of Hydrogen Energy 60 (2024) 402–414] by demonstrating the antiferromagnetic nature of the Zn<sub>34</sub>H<sub>i</sub>MgO<sub>36</sub> (0 0 1) monolayer system under unstrained neutral conditions. Employing the Generalised Gradient Approximation (GGA + U) plane-wave super-soft pseudopotential within the spin density functional theory framework, this study investigates the influence of strain on the thermophotovoltaic response of Zn-vacancy and H-interstitial ZnO(0 0 1) monolayers: Mg. Dynamic analysis, quantum mechanical minimum energy principle, and differential charge density distribution studies indicate that the Zn<sub>34</sub>H<sub>i</sub>MgO<sub>36</sub> (0 0 1) monolayer system exhibits relatively good stability under −6% compressive strain. Spin density, Bader charge, and density of states distribution investigations reveal that both unstrained and tensile/compressive strains induce antiferromagnetism in the Zn<sub>34</sub>H<sub>i</sub>MgO<sub>36</sub> (0 0 1) monolayer system exhibits antiferromagnetism regardless of strain state. The antiferromagnetic mechanism originates from the polarised O<sup>1-</sup>1 2p state ions near Zn vacancies and O<sup>1-</sup>2 2p states, both possessing dual attributes of localised electrons (acceptors) and itinerant electrons (donors). Hybridised double exchange interactions exist between these localised electrons. Trapping effects and carrier lifetime studies reveal that the Zn<sub>34</sub>H<sub>i</sub>MgO<sub>36</sub>(0 0 1) monolayer system under −6% compressive strain exhibits the longest carrier lifetime. Absorption coefficient and reflectance coefficient investigations indicate that the Zn<sub>34</sub>H<sub>i</sub>MgO<sub>36</sub>(0 0 1) monolayer system under −6% compressive strain demonstrates the most favourable infrared photovoltaic properties as a thermophotovoltaic material.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"207 ","pages":"Article 110470"},"PeriodicalIF":4.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146189747","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}