{"title":"Synthesis and photosensitized hydrogen production of WO3-WS2 composite","authors":"Miaomiao Xue, Mingcai Yin, Dehang Ma, Jiaming Zhang, Luyao Ling, Yaoting Fan","doi":"10.1016/j.mssp.2025.109526","DOIUrl":"10.1016/j.mssp.2025.109526","url":null,"abstract":"<div><div>WO<sub>3</sub> is one of the most potential photocatalysts. However, to realize its photocatalytic hydrogen production, modification such as combining with WS<sub>2</sub> is necessary due to its poor reduction capacity. To find out the optimal ratio between WO<sub>3</sub> and WS<sub>2</sub>, in this paper, a facile two-step calcination method was used for the preparation of a series of WO<sub>3</sub>-WS<sub>2</sub> composites, and their photocatalytic hydrogen performances were investigated under Erythrosine B sodium salt (EB) sensitization. The results showed that when the mass ratio of WS<sub>2</sub> to WO<sub>3</sub> is 5:5 or higher, efficient hydrogen evolution comes true. In addition, the calcination condition for the preparation of precursor WO<sub>3</sub> and the method for the preparation of WO<sub>3</sub>-WS<sub>2</sub> composite were optimized. The as-prepared WO<sub>3</sub>-WS<sub>2</sub> exhibits relatively good stability and relatively stable hydrogen generation was achieved when CdS was introduced.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"194 ","pages":"Article 109526"},"PeriodicalIF":4.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748042","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}
Kai Li , Xijie Dong , Keliang Pan , Hang Zhang , Jian Yang
{"title":"Facile synthesis of BiOBr/Bi2S3 topological heterojunction through acid vapor ion exchange and efficient application in environmental photocatalysis","authors":"Kai Li , Xijie Dong , Keliang Pan , Hang Zhang , Jian Yang","doi":"10.1016/j.mssp.2025.109521","DOIUrl":"10.1016/j.mssp.2025.109521","url":null,"abstract":"<div><div>Constructing tightly bound and highly dispersed heterointerfaces through epitaxial growth is a promising strategy for enhancing the photocatalytic performance of composite systems. In this study, a three-dimensional (3D) hierarchical flower-like BiOBr/Bi<sub>2</sub>S<sub>3</sub> heterojunction was fabricated via an acid vapor ion exchange method. The highly matched lattice parameters facilitated the transformation of the BiOBr substrate into Bi<sub>2</sub>S<sub>3</sub> through epitaxial growth, while the relatively mild reaction conditions at the gas-solid interface effectively preserved the initial morphological structure of the substrate. Benefiting from the expanded spectral response range, enhanced separation and migration efficiency of photogenerated carriers, and improved light utilization through complex scattering within the hierarchical structures, the BiOBr/Bi<sub>2</sub>S<sub>3</sub> heterojunctions demonstrated exceptional photocatalytic activity in the degradation of Rhodamine B and Tetracycline Hydrochloride, as well as in the reduction of Cr(VI). This strategy not only provides a novel approach for the construction of topological heterojunctions but also holds significant potential as a universal methodology, offering broad prospects for both research and practical applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109521"},"PeriodicalIF":4.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748032","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}
Huanneng Zhu , Jin Wu , Zhenhuai Yang , Kesheng Guo , Jing Liu , Chuandong Zhang , Jie Bai , Hong Liu , Qiang Hu , Qiang Wang
{"title":"Effects of a 50 nm AlN intermediate layer on the properties of Al1-xScxN films with varying Sc concentrations","authors":"Huanneng Zhu , Jin Wu , Zhenhuai Yang , Kesheng Guo , Jing Liu , Chuandong Zhang , Jie Bai , Hong Liu , Qiang Hu , Qiang Wang","doi":"10.1016/j.mssp.2025.109529","DOIUrl":"10.1016/j.mssp.2025.109529","url":null,"abstract":"<div><div>This study fabricated Al<sub><em>1-x</em></sub>Sc<sub><em>x</em></sub>N thin films with varying Sc doping concentrations on <em>c</em>-sapphire substrates using dual-target magnetron sputtering, and analyzed the impact of a 50-nm-thick AlN intermediate layer. By precisely adjusting the radio frequency power of the Sc target, films with doping concentrations ranging from 8 % to 32 % are obtained. The absence of the AlN intermediate layer, high Sc-doped films exhibit poor quality and significant phase separation on <em>c</em>-sapphire substrates. In contrast, upon the introduction of the intermediate layer, only the peak of the 0002 reflection of the wurtzite phase is manifested, accompanied by a remarkable enhancement in crystallinity and a substantial reduction in residual stress. X-ray photoelectron spectroscopy (XPS) analysis indicates that the intermediate layer strengthens the Sc-N bonds and reduces oxygen impurities. Optical characterizations reveal that the films containing this intermediate layer exhibit higher transmittance in the ultraviolet–visible region beyond the absorption edge, and their direct bandgap is closer to the theoretical value. This study verifies the crucial role of the AlN intermediate layer in optimizing the properties of Al<sub><em>1-x</em></sub>Sc<sub><em>x</em></sub>N films. It provides some theoretical basis for the application of the AlScN/AlN/c-sapphire structure in devices such as high-performance radio-frequency filters and ultraviolet solar-blind detectors, which is conducive to enhancing the performance of these devices in relevant fields and expanding their functions.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"194 ","pages":"Article 109529"},"PeriodicalIF":4.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748041","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}
Qian Zou , Jieru Sun , Yongxin Cui, Junhao Ma, Hong-an Lu, Yi Wu, Chonggui Zhong, Huailiang Fu, Lei Zhang, Pengxia Zhou
{"title":"The optoelectronic properties in two-dimensional sliding ferroelectric material XC (X = Ge, Si) under strain","authors":"Qian Zou , Jieru Sun , Yongxin Cui, Junhao Ma, Hong-an Lu, Yi Wu, Chonggui Zhong, Huailiang Fu, Lei Zhang, Pengxia Zhou","doi":"10.1016/j.mssp.2025.109525","DOIUrl":"10.1016/j.mssp.2025.109525","url":null,"abstract":"<div><div>Two-dimensional sliding ferroelectricity has attracted significant attention owing to its unique reversible out-of-plane polarization generated by interlayer sliding. Numerous materials have been experimentally verified to demonstrate this phenomenon. In this work, bilayer honeycomb XC (X = Ge, Si) is investigated using the first-principles calculations to explore the ground state structure, electronic, transport and optical properties. First, the most stable AB configuration is identified, and its electronic structure is studied and modulated via strain engineering. Results indicate that the band gap gradually decreases as the strain transitions from compressive to tensile. Furthermore, the carrier mobility and optical absorption of AB-stacked XC (X = Ge, Si) are researched, revealing exceptionally high mobility that can be effectively tuned within the strain range of −8 %–8 %. Additionally, the optical absorption coefficient of the system presents the phenomenon of red-shift in sequence from compressive to tensile strain. These findings provide valuable insights into the photovoltaic potential of sliding ferroelectrics, suggesting promising applications in photovoltaics, solar cells, and optoelectronic devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109525"},"PeriodicalIF":4.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748035","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}
K. Sasikumar , M. Theanmozhi , P. Devaraji , Chinnakonda S. Gopinath , B. Saravanakumar , R. Jude Vimal Michael
{"title":"Influence of natural carbon template on Ag-ZnO nanocomposites for enhanced supercapacitor, photocatalytic hydrogen production and antifungal activity","authors":"K. Sasikumar , M. Theanmozhi , P. Devaraji , Chinnakonda S. Gopinath , B. Saravanakumar , R. Jude Vimal Michael","doi":"10.1016/j.mssp.2025.109523","DOIUrl":"10.1016/j.mssp.2025.109523","url":null,"abstract":"<div><div>Zinc oxide (ZnO) hexagonal nanorods and silver (Ag) - ZnO nanoplate like structures are synthesized by using novel natural carbon templates. The structural intricacies are evaluated with various characterizations which is utilized for supercapacitor and photocatalytic H<sub>2</sub> production under direct sunlight applications. The role of carbon template in silver ion dispersion on ZnO matrix which is reflected in XRD and optical measurements. The presence of Ag (111) plane in the ZnO matrix, as proved by XRD shifts the Fermi level which in turn facilitates electron transport from valence band to conduction band whilst it is useful for photocatalytic H<sub>2</sub> production. The UV-DRS shift in wavelength to visible region is observed with the introduction of silver on ZnO. The HRSEM and HRTEM reveals the presence of nanorods and plate like morphology with distinct Ag (111) lattice fringes. XPS gives insight about the oxidation state of Ag-ZnO nanocomposites which is also complimented from peaks in XRD and LSPR in UV-DRS. Silver presence in both oxidation state attributed to Ag<sub>2</sub>O (Ag<sup>+</sup>) and metallic silver cluster (Ag<sup>0</sup>). The BET isotherm substantiates increased surface area for the Ag5 %-ZnO (PC) composite than Ag5 %-ZnO (Egg white-EW), since the former provides fine dispersion of Ag on ZnO matrix. The electrochemical investigations reveal that the material with higher surface area provide more active sites for superior specific capacitance (221.1 F g<sup>−1</sup>) and high energy density (27.6 Wh kg<sup>−1</sup>) with 88 % capacitance retention stability which is clearly evidenced from GCD analysis. The lower charge transfer resistance of Ag-ZnO nanocomposite is beneficial for energy conversion and storage applications. The usage of silver in ZnO enhanced the antifungal activity against aspergillus niger fungi.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109523"},"PeriodicalIF":4.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748033","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}
Ruiliang Zhou , Jian Yang , Hailong Liu , Chen Xu , Yan Pu , Ivan S. Babichuk
{"title":"A lightweight model and agent framework for fast and accurate surface defect detection in MoS2 films","authors":"Ruiliang Zhou , Jian Yang , Hailong Liu , Chen Xu , Yan Pu , Ivan S. Babichuk","doi":"10.1016/j.mssp.2025.109494","DOIUrl":"10.1016/j.mssp.2025.109494","url":null,"abstract":"<div><div>Two-dimensional (2D) materials, particularly transition metal dichalcogenides (TMDs), have shown great potential in optoelectronics and energy storage due to their unique properties. However, defects such as impurities and voids can significantly impact their electronic, optical, and magnetic characteristics. Traditional defect detection methods, such as scanning transmission electron microscopy (STEM), are time-consuming and limited in scalability. This study introduces DeepMGD, a novel deep learning model designed for efficient and accurate defect detection in molybdenum disulfide (MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>) films fabricated via chemical vapor deposition (CVD) and imaged using optical microscopy. DeepMGD utilizes MobileNetV4 as its backbone, Gold-YOLO as the neck, and a decoupled head. The architecture attains a competitive mAP@50 of 0.894 under challenging illumination conditions while maintaining a lean parameter count of 5.129 million, achieving 122.2 FPS on a GPU and 3.0 FPS on a CPU. Additionally, we present the DeepMGD Agent, an intelligent system framework that integrates the DeepMGD model with a large language model (LLM) and a Python interpreter. This framework automates defect detection and analysis, offering an intuitive workflow for users. The system processes microscopic images and user commands to detect defects and generate natural language explanations, enabling seamless defect detection and quantitative analysis. This work provides a reliable and efficient approach for analyzing 2D materials, with potential applications for other similar materials in the future. The code is released at <span><span>https://github.com/zhouruiliangxian/DeepMGD</span><svg><path></path></svg></span>.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109494"},"PeriodicalIF":4.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748030","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}
Hongbin Zhai , Ben Cao , Changtong Wu , Jiahui Wang , Shufang Ma , Bingshe Xu , Guoqiang Li
{"title":"Preparation and application of two-dimensional gallium nitride - A short review","authors":"Hongbin Zhai , Ben Cao , Changtong Wu , Jiahui Wang , Shufang Ma , Bingshe Xu , Guoqiang Li","doi":"10.1016/j.mssp.2025.109512","DOIUrl":"10.1016/j.mssp.2025.109512","url":null,"abstract":"<div><div>Gallium Nitride (GaN), as a representative of wide bandgap semiconductors, has become a focus of semiconductor research in recent years due to its excellent electronic and optoelectronic properties. Meanwhile, two-dimensional GaN, with its distinctive layered structure and tunable bandgap, has garnered significant attention in domains such as power electronics, optoelectronics, energy conversion and flexible wearable devices. Over the last few years, substantial research has been conducted on the fabrication of two-dimensional GaN materials and their device applications. Despite the broad prospects for the preparation and application of 2D GaN, it continues to face several challenges. This review highlights methods for the preparation of two-dimensional gallium nitride materials and device applications for power electronics, optoelectronics, as well as communications, detectors, and sensors. It summarizes different synthetic routes based on nitridation reactions, graphene-assisted heteroepitaxial growth, etc., and exemplifies the current status of device application research based on 2D GaN materials. Additionally, it anticipates the challenges encountered by current research and the emerging trends in future development, with the aim of facilitating the practical implementation process of 2D GaN.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109512"},"PeriodicalIF":4.2,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748034","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}
Haibo Jiang , Kaina Yang , Shenyang Cao , Shengwei Yu , Xue Sun , Shengqiu Shou , Jianhua Shen
{"title":"In-situ oxidation of CoOOH decorated on P25 heterostructure as the co-catalyst for enhanced photodegradation of organic pollutants","authors":"Haibo Jiang , Kaina Yang , Shenyang Cao , Shengwei Yu , Xue Sun , Shengqiu Shou , Jianhua Shen","doi":"10.1016/j.mssp.2025.109522","DOIUrl":"10.1016/j.mssp.2025.109522","url":null,"abstract":"<div><div>Surface modification of nanoscale titanium dioxide (P25) for photocatalysts can improve carrier separation efficiency by constructing heterojunction structures and reduce reaction energy barriers by introducing co-catalysts. This study describes the successful deposition of CoOOH particles on the P25 surface using solvent-based and in-situ oxidation methods, resulting in a type II P25-CoOOH heterostructure. The photocurrent of P25-CoOOH exhibited a 630 % increase compared to pure P25, while showing a reduced surface potential barrier of 2.21 eV. Density functional theory (DFT) simulations demonstrated that the work function of the CoOOH (001) surface (Φ = 6.639 eV) is significantly lower than that of P25 (101) (Φ = 7.238 eV). Photoluminescence (PL) spectra and active species trapping experiments demonstrated a slower rate of electron and hole recombination in P25-CoOOH compared to pure P25, which effectively reduces electron-hole pair recombination and significantly enhances its photocatalytic activity for degrading methylene blue (MB) by 2.07 times that of P25. These findings suggest that CoOOH not only forms a heterojunction with P25 to improve carrier separation efficiency but also serves as a co-catalyst, increasing the number of active sites on the surface.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109522"},"PeriodicalIF":4.2,"publicationDate":"2025-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748031","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}
Oleksandr Dobrozhan , Roman Pshenychnyi , Maksym Yermakov , Bohdan Boiko , Serhii Vorobiov , Vladimír Tkáč , Anatoliy Opanasyuk
{"title":"Structural, substructural, magnetic, and electrical properties of Ti-substituted tetrahedrites with enhanced thermoelectric performance","authors":"Oleksandr Dobrozhan , Roman Pshenychnyi , Maksym Yermakov , Bohdan Boiko , Serhii Vorobiov , Vladimír Tkáč , Anatoliy Opanasyuk","doi":"10.1016/j.mssp.2025.109520","DOIUrl":"10.1016/j.mssp.2025.109520","url":null,"abstract":"<div><div>This study demonstrates the effect of substituting titanium (Ti) in place of copper (Cu) in Cu<sub>12−x</sub>Ti<sub>x</sub>Sb<sub>4</sub>S<sub>13</sub> tetrahedrite solid solutions on their structural, substructural, magnetic, and thermoelectric (TE) properties. Tetrahedrite materials with a nominal Ti substitution content of x = 0.0, 0.3, 0.5, 1.0, and 1.5 are synthesized via a low-cost and scalable polyol method using posterior annealing, pressing, and sintering treatments. X-ray diffraction analysis and Raman spectroscopy confirm that the solid solutions contain nanocrystallites with sizes ranging from ∼60 to ∼65 nm, which possess a single tetrahedrite phase. The replacement of Ti at Cu sites induces convoluted changes in the lattice parameter, unit cell volume, coherent scattering domains, and levels of macrodeformations, macrostresses, and dislocations. Moreover, the crystalline quality of the tetrahedrites is observed to depend on Ti substitution content. Scanning electron microscopy and energy-dispersive X-ray analysis indicate that the tetrahedrites comprise grains with sizes ranging from ∼70 to ∼200 nm with homogeneous distribution of constituent elements and closeness to stoichiometric composition. Ti substitution decreases the electrical conductivity and increases Seebeck coefficient because of hole concentration reduction caused by Ti<sup>4+</sup> substitution at Cu<sup>1+</sup>/Cu<sup>2+</sup> sites. The power factor slightly decreases with increased Ti content; however, electronic thermal conductivity notably reduces by two times in comparison to pure tetrahedrite. Furthermore, magnetic parameters of the tetrahedrites are identified to assess the change in the electronic density of states. This study provides a practical approach for the fabrication of low-cost and efficient TE materials based on environmentally benign and earth-abundant Ti-substituted tetrahedrites.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109520"},"PeriodicalIF":4.2,"publicationDate":"2025-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143735321","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. Bouhmouche , R. Moubah , S. Elkhouad , Z. Yamkane , N.T. Mliki
{"title":"Pressure effects on the electronic, optical, and thermodynamic properties in van der waals multiferroic NiI2","authors":"A. Bouhmouche , R. Moubah , S. Elkhouad , Z. Yamkane , N.T. Mliki","doi":"10.1016/j.mssp.2025.109515","DOIUrl":"10.1016/j.mssp.2025.109515","url":null,"abstract":"<div><div>Recently, NiI<sub>2</sub> was demonstrated as the first purely 2D multiferroic material, offering new insights into the interplay between magnetic and ferroelectric order in two-dimensional systems, and showcasing its potential as a versatile material for next-generation spintronic and multifunctional devices. In this work, we investigate the electronic, optical, and thermodynamic properties of the newly identified van der Waals multiferroic material NiI<sub>2</sub> using <em>ab-initio</em> calculations, focusing on the impact of applied pressure on its properties. From an electronic perspective, NiI<sub>2</sub> undergoes a transition from a semiconductor (1.1 eV) to a metallic state at 25 GPa due to pressure-induced modifications of the electronic structure, particularly the hybridization of Ni 3d and I 5p orbitals. The study also investigates the anisotropic behavior of NiI<sub>2</sub> under pressure, the transition occurring at 15 GPa along the <em>ab-plane</em> and at 13 GPa along the <em>c-axis</em>. This demonstrates the material's distinct response to pressure in different crystallographic directions. The effect of hydrostatic pressure on the magnetic properties of NiI<sub>2</sub> was also examined, revealing a reinforcement of antiferromagnetic interactions with increasing pressure. Moreover, significant enhancements are observed in the material's optical characteristics, particularly in its optical conductivity, the material exhibits an increase from 1221 (Ω cm)<sup>−1</sup> at 0 GPa to 2169 (Ω cm)<sup>−1</sup> at 9 GPa. Similarly, the absorption coefficient spectrum improves from 1.2 × 10<sup>5</sup> cm<sup>−1</sup> at 0 GPa to 1.8 × 10<sup>5</sup> cm<sup>−1</sup> at 9 GPa, around 2 eV. Interestingly, the static refractive index also shows a significant enhancement, increasing from 3.6 under ambient pressure to 4.2 at 9 GPa. These changes are attributed to structural modifications and increased electron delocalization. Additionally, thermodynamic analysis, including heat capacity and entropy, provides key insights into the material's behavior under pressure. The heat capacity increases linearly with temperature, following the Dulong-Petit law, while the normalized heat capacity exhibits a peak that is in line with a magnetic phase transition at around 59 K, a peak that shifts with pressure. These findings highlight the potential of NiI<sub>2</sub> for multifunctional devices, where pressure plays a crucial role in tuning its properties.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"193 ","pages":"Article 109515"},"PeriodicalIF":4.2,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143724119","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}