Materials Science in Semiconductor Processing最新文献

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Sulfidation adjust the valence states of metal ions enhancing alkaline seawater OER catalytic activity and stability for PBA−derived self–supporting NiFe sulfide
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-19 DOI: 10.1016/j.mssp.2025.109396
Xuan Tong , Haiyang Xu , Shengjie Wei , Dingcheng Sun , Shan Lin , Hangyu Zhou , Xu Ji , Yue Yang , Le Zhang
{"title":"Sulfidation adjust the valence states of metal ions enhancing alkaline seawater OER catalytic activity and stability for PBA−derived self–supporting NiFe sulfide","authors":"Xuan Tong ,&nbsp;Haiyang Xu ,&nbsp;Shengjie Wei ,&nbsp;Dingcheng Sun ,&nbsp;Shan Lin ,&nbsp;Hangyu Zhou ,&nbsp;Xu Ji ,&nbsp;Yue Yang ,&nbsp;Le Zhang","doi":"10.1016/j.mssp.2025.109396","DOIUrl":"10.1016/j.mssp.2025.109396","url":null,"abstract":"<div><div>Seawater, a prevalent resource, is gaining attention as a substitute for freshwater in hydrogen electrolysis. Nonetheless, the corrosion resistance of the anode to chloride ions still faces challenges. In this paper, NiFe PBA-S/NF was grown on nickel foam to promote effective electron conduction between the substrate and the catalyst, and the catalyst was enriched with redox reaction by adjusting the valence state of metal ions through sulfidation, which was beneficial to electrocatalytic kinetics and durability. Notably, it exhibited excellent performance in alkaline simulated seawater electrolytes, with an overpotential of 247 mV at 100 mA cm<sup>−2</sup> and remained stable for more than 55 h. In addition, we evaluated the effect of Cl<sup>−</sup> ion concentration on catalyst performance and observed that the catalyst exhibited higher OER activity in alkaline simulated seawater with higher concentrations of Cl<sup>−</sup>. These results provide a solid experimental foundation for designing economically efficient seawater corrosion resistant electrolytic catalysts.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109396"},"PeriodicalIF":4.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143438277","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
Investigation of basal plane dislocation nucleation in Al-doped p-type 4H-SiC using nanoindentation and molecular dynamics
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-19 DOI: 10.1016/j.mssp.2025.109377
Yanwei Yang , Zhouyu Tong , Xiaodong Pi , Deren Yang , Yuanchao Huang
{"title":"Investigation of basal plane dislocation nucleation in Al-doped p-type 4H-SiC using nanoindentation and molecular dynamics","authors":"Yanwei Yang ,&nbsp;Zhouyu Tong ,&nbsp;Xiaodong Pi ,&nbsp;Deren Yang ,&nbsp;Yuanchao Huang","doi":"10.1016/j.mssp.2025.109377","DOIUrl":"10.1016/j.mssp.2025.109377","url":null,"abstract":"<div><div>High-quality <em>p</em>-type 4H-SiC crystals serve as the fundamental material for n-channel SiC insulated gate bipolar transistors, which are essential for ultra-high voltage power devices. However, the development of <em>p</em>-type 4H-SiC is hindered by crystal defects, particularly dislocations. Among all types of dislocations, basal plane dislocation (BPD) is the most common. This study employs nanoindentation to investigate BPD nucleation in <em>p</em>-type 4H-SiC, supported by molecular dynamics simulations to analyse the stress-strain behaviour and the effect of aluminium (Al) doping. Nanoindentation experiments reveal that <em>p</em>-type 4H-SiC exhibits easier plastic deformation with the increase of Al doping concentration. This deformation primarily involves the formation of BPD, stacking faults, and crystallographic transformations. Molecular dynamics simulations further elucidate the mechanisms behind these observations, showing that Al doping facilitates BPD nucleation, with a higher incidence rate at greater Al doping concentrations. A key finding of this study is that the primary occurrence of BPD in <em>p</em>-type 4H-SiC stems from the formation of Si-Al bonds, which is distinct from the formation of Si-Si bonds during BPD nucleation in nominally undoped 4H-SiC. This distinction highlights the impact of Al doping on the atomic-scale interactions and defect formation processes within the crystal lattice. This study advances the understanding of BPD behaviour in <em>p</em>-type 4H-SiC and provides a foundation for its industrial applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109377"},"PeriodicalIF":4.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143438229","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
Investigation of solvent and temperature effects of PbBr2 layer and studies of phase change kinetics for CsPbBr3 inorganic perovskite solar cells
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-19 DOI: 10.1016/j.mssp.2025.109386
Agata Szwanda , Wojciech Bulowski , Katarzyna Gawlińska-Nęcek , Agnieszka Bigos , Marek Lipiński , Łukasz Majchrowicz , Zbigniew Starowicz
{"title":"Investigation of solvent and temperature effects of PbBr2 layer and studies of phase change kinetics for CsPbBr3 inorganic perovskite solar cells","authors":"Agata Szwanda ,&nbsp;Wojciech Bulowski ,&nbsp;Katarzyna Gawlińska-Nęcek ,&nbsp;Agnieszka Bigos ,&nbsp;Marek Lipiński ,&nbsp;Łukasz Majchrowicz ,&nbsp;Zbigniew Starowicz","doi":"10.1016/j.mssp.2025.109386","DOIUrl":"10.1016/j.mssp.2025.109386","url":null,"abstract":"<div><div>This study optimizes the lead bromide layer by investigating factors such as solution and substrate temperatures, as well as solvent types. Microstructural analysis reveals significant differences between the porous structures formed with DMF and the glossy, transparent structures formed with non-toxic DMSO. The influence of lead bromide deposition temperature on the thickness and quality of CsPbBr₃ perovskite was evaluated, with optimal temperature ranges of 70–110 °C for DMF and 70–150 °C for DMSO. A novel transmittance-based methodology was employed to monitor the phase transition process, with particular focus on spectral changes at 500 nm, providing insights into perovskite phase formation, layer thickness, and stoichiometric points. The optimal number of CsBr conversion cycles was determined, revealing a 20–30 °C difference in the ideal annealing temperatures of PbBr₂ for DMF and DMSO solutions, which influenced solar cell efficiency. Using DMF, the study achieved up to 6.9 % efficiency in planar perovskite solar cells, with slightly lower efficiencies observed for DMSO.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109386"},"PeriodicalIF":4.2,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143438228","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
Enhanced self-cleaning performance of WO3/BiVO4semiconductor thin-film coatings on ceramic tiles through photocatalytic organic and microbial degradation
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-18 DOI: 10.1016/j.mssp.2025.109385
Farut supanantin , Nuanlaor Yamao , Naris Barnthip , Chatchai Ponchio
{"title":"Enhanced self-cleaning performance of WO3/BiVO4semiconductor thin-film coatings on ceramic tiles through photocatalytic organic and microbial degradation","authors":"Farut supanantin ,&nbsp;Nuanlaor Yamao ,&nbsp;Naris Barnthip ,&nbsp;Chatchai Ponchio","doi":"10.1016/j.mssp.2025.109385","DOIUrl":"10.1016/j.mssp.2025.109385","url":null,"abstract":"<div><div>The accumulation of stains and pathogens on sanitary tiles in public and workplaces poses significant challenges to maintaining hygiene and cleanliness. Conventional chemical cleaning procedures are harmful to the environment and frequently present health risks. This research introduces a sustainable and energy-efficient solution utilizing photocatalytic semiconductor thin films, specifically TiO<sub>2</sub>, WO<sub>3</sub>, BiVO<sub>4</sub>, and a WO<sub>3</sub>/BiVO<sub>4</sub> heterojunction, performed by an automated dip-coating technique. A comprehensive characterization of the semiconductor-coated ceramic tiles, including chemical composition, morphology, contact angle, crystalline structure, and photocatalytic degradation efficiency, was performed under visible light irradiation. The WO<sub>3</sub>/BiVO<sub>4</sub> heterojunction demonstrated outstanding efficacy, accomplishing 100 % organic dye degradation within 30 min, compared to around 15 % for single semiconductor coatings. Pesticide removal, which are colorless dangerous organic substances, was investigated as well to validate photocatalysis of organic compound removal procedure. The heterojunction improved the hydrophilic characteristics of the tiles, facilitating water dispersion and the resulting generation of reactive oxygen species essential for efficient organic and microbial decomposition. The uniform morphology and high crystalline structure of WO<sub>3</sub>/BiVO<sub>4</sub> facilitated effective charge separation, markedly enhancing photocatalytic activity. Furthermore, all evaluated semiconductor coatings exhibited up to 99 % antibacterial efficiency, highlighting their potential for hygienic applications. These findings highlight the potential of WO<sub>3</sub>/BiVO<sub>4</sub>-coated ceramic tiles as an innovative, environmentally sustainable solution for maintaining cleanliness in healthcare facilities, public places, and other locations necessitating rigorous hygiene standards. The present research encourages the development of a novel substitute for environmentally and health-harming self-cleaning surfaces that eliminates the hazards attributed to traditional cleaning techniques.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109385"},"PeriodicalIF":4.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429907","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
Delving into the design of low – dimensional scandium nitride single and – multilayers, and single and – multiwalled zigzag nanotubes
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-18 DOI: 10.1016/j.mssp.2025.109383
A. Majouri , T. Larbi , A. Ben Daly , K. Doll , M. Amlouk
{"title":"Delving into the design of low – dimensional scandium nitride single and – multilayers, and single and – multiwalled zigzag nanotubes","authors":"A. Majouri ,&nbsp;T. Larbi ,&nbsp;A. Ben Daly ,&nbsp;K. Doll ,&nbsp;M. Amlouk","doi":"10.1016/j.mssp.2025.109383","DOIUrl":"10.1016/j.mssp.2025.109383","url":null,"abstract":"<div><div>Herein, we exploit quantum-mechanical simulations based on the density functional theory (DFT) to the study of lattice dynamics and structural stability of scandium nitride ScN from the 3D bulk, the square 2D mono and multi-layers to the corresponding single and multi-walled zigzag nanotubes. An effective variety of energetic and geometric parameters as well as electronic and vibrational contributions to the polarizability are established. For all forms, dynamic stability is analyzed via vibrational studies through the simulation of their IR and Raman spectra by using a coupled perturbed Kohn-Sham and Hartree-Fock (CPKS/HF) computational approach. The mechanical response is further achieved by computing their elastic constants that satisfy the mechanical stability criterion. Upon building the 2D square multilayers, a noticeable IR and Raman active modes are generated with the interlayer distance that breaks inversion symmetry and alters the lattice dynamics. By increasing the number of layers, E<sub>u</sub> modes become softer and shift toward lower wavelengths while A<sub>2u</sub> modes harden with a red shift owing to mechanical deformations that occur between layers. The vibrational active modes of (n,0) ScN square single walled nanotubes are found to be connected with those of the square monolayer as the 1D → 2D transition is approached. The dynamical and structural stability of all forms suggest interesting possibilities for engineering the physical properties of scandium nitride and impact the fabrication of new potential optoelectronic devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109383"},"PeriodicalIF":4.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429972","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
Investigation of phase formation of Bi₂Sr₂CaCu₂O₈₊ₓ under oxygen-free conditions and its application in resistance switching
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-16 DOI: 10.1016/j.mssp.2025.109378
Jiqiang Jia, Tao Zhang, Li Lei
{"title":"Investigation of phase formation of Bi₂Sr₂CaCu₂O₈₊ₓ under oxygen-free conditions and its application in resistance switching","authors":"Jiqiang Jia,&nbsp;Tao Zhang,&nbsp;Li Lei","doi":"10.1016/j.mssp.2025.109378","DOIUrl":"10.1016/j.mssp.2025.109378","url":null,"abstract":"<div><div>This paper investigates the growth process of Bi₂Sr₂CaCu₂O₈₊ₓ (Bi-2212) films using the pulsed laser deposition method in both oxygen and oxygen-free (nitrogen) conditions. Furthermore, the resistance switching (RS) effect of Bi-2212/Nb: SrTiO₃ (NSTO) structure is explored. Bi-2212 films are deposited in oxygen and nitrogen atmospheres respectively, and the effects of laser energy, deposition temperature, atmospheric pressure, and oxygen diffusion process on phase formation and superconductivity are thoroughly studied. The high-quality Bi-2212 phase can be obtained at a deposition temperature of 800 °C, laser energy of 250 mJ, and an oxygen or nitrogen pressure of 65 Pa. The low-temperature diffusion process further enhances the superconducting properties, with oxygen-diffused samples exhibiting critical transition temperatures of approximately 83 K (deposition in oxygen) and 74 K (deposition in nitrogen). Additionally, the RS effect of Bi-2212/NSTO structures is investigated, where Bi-2212 is used as both the electrode and the hetero-layer for NSTO. Oxygen vacancies inherently present in Bi-2212 migrate to the Bi-2212/NSTO interface under low voltage, increasing the interfacial barrier. However, as the bias voltage progressively increases, oxygen ions in NSTO migrate into Bi-2212, resulting in the formation of Vo on the NSTO side, thereby reducing the interfacial barrier height. As a result, the Bi-2212/NSTO structure exhibits two different RS characteristics under different voltages. These results provide experimental references for the application of Bi-2212 in oxidizable substrates, circuits, and RS effect devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109378"},"PeriodicalIF":4.2,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420389","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
Unlocking Ta₂C MXene through first principle study: How vacuum thickness shapes its electronic, optical and thermodynamic marvels
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-16 DOI: 10.1016/j.mssp.2025.109384
Shabir Ali , Xinhua Wang , Muhammad Khan , Nasir A. Ibrahim , Nosiba S. Badher , Mohammed Saad Aleissa , Mohamed Hassan Eisa , Vajid Nettoor Veettil
{"title":"Unlocking Ta₂C MXene through first principle study: How vacuum thickness shapes its electronic, optical and thermodynamic marvels","authors":"Shabir Ali ,&nbsp;Xinhua Wang ,&nbsp;Muhammad Khan ,&nbsp;Nasir A. Ibrahim ,&nbsp;Nosiba S. Badher ,&nbsp;Mohammed Saad Aleissa ,&nbsp;Mohamed Hassan Eisa ,&nbsp;Vajid Nettoor Veettil","doi":"10.1016/j.mssp.2025.109384","DOIUrl":"10.1016/j.mssp.2025.109384","url":null,"abstract":"<div><div>This article presents a comprehensive and innovative investigation into the influence of vacuum thickness on the electronic, optical, and thermodynamic properties of two-dimensional (2D) Ta₂C MXene using advanced first-principles simulations. As MXenes emerge as front-runners in various high-impact industrial applications, understanding the nuances of their properties is paramount. Our findings reveal that vacuum thickness significantly affects the electronic characteristics of Ta₂C MXene. Additionally, our detailed analysis of optical properties including dielectric function, reflectivity, refractive index, and extinction coefficient demonstrates a consistent enhancement in these parameters with increasing vacuum thickness, underscoring the tunability of Ta₂C MXene for specific optical applications. Furthermore, variations in vacuum thickness leads to significant changes in thermodynamic properties under different temperature conditions. This research not only deepens our understanding of Ta₂C MXene but also provides pivotal insights for the development of next-generation technologies, solidifying the role of vacuum engineering in optimizing MXene-based materials for energy storage devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109384"},"PeriodicalIF":4.2,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420556","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
Reduction of trap density in high-k dielectrics through optimized ALD process and high-pressure deuterium annealing
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-15 DOI: 10.1016/j.mssp.2025.109380
Taewon Hwang , Su-Hwan Choi , Ki-Cheol Song , Yeonhee Lee , Jae-Hyeok Kwag , Jun-Yeoub Lee , Chang-Kyun Park , Jin-Seong Park
{"title":"Reduction of trap density in high-k dielectrics through optimized ALD process and high-pressure deuterium annealing","authors":"Taewon Hwang ,&nbsp;Su-Hwan Choi ,&nbsp;Ki-Cheol Song ,&nbsp;Yeonhee Lee ,&nbsp;Jae-Hyeok Kwag ,&nbsp;Jun-Yeoub Lee ,&nbsp;Chang-Kyun Park ,&nbsp;Jin-Seong Park","doi":"10.1016/j.mssp.2025.109380","DOIUrl":"10.1016/j.mssp.2025.109380","url":null,"abstract":"<div><div>The scaling down of transistors has increased the need for high-k dielectric materials to suppress the quantum mechanical tunneling through thin insulator layers. However, high-k materials are prone to defect formation, which deteriorates their electrical properties. This study proposes two methods to mitigate these defects: optimizing the atomic layer deposition (ALD) process to reduce bulk trap density and employing high-pressure deuterium annealing (HPDA) to passivate interface trap density. Increasing the ALD process pressure and ozone reactant flow rate facilitates Cp-ligand ozone-induced combustion, thereby reducing film impurities and bulk trap densities. Deuterium (D<sub>2</sub>) was successfully injected into the entire film and interface, lowering both bulk and interface trap densities. Furthermore, the reduction in trap densities was further improved with high D<sub>2</sub> pressure. By modulating the ALD process and adopting HPDA, we achieved reductions in the interface trap density of Al₂O₃, HfO₂, and ZrO₂ by 53.5 %, 93.4 %, and 81.1 %, respectively. These findings indicate that HPDA and optimized ALD processes can enhance the performance and stability of semiconductor devices utilizing high-k materials at low process temperatures.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109380"},"PeriodicalIF":4.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420388","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
An ab-initio investigation of MgGeN2/WS2 heterostructure in varied thickness
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-14 DOI: 10.1016/j.mssp.2025.109363
Yi Yu , Qin Liu , Jiayi Sun , Min Pan , Man Jiang , Zean Tian , Chunfeng Hu , Qingguo Feng
{"title":"An ab-initio investigation of MgGeN2/WS2 heterostructure in varied thickness","authors":"Yi Yu ,&nbsp;Qin Liu ,&nbsp;Jiayi Sun ,&nbsp;Min Pan ,&nbsp;Man Jiang ,&nbsp;Zean Tian ,&nbsp;Chunfeng Hu ,&nbsp;Qingguo Feng","doi":"10.1016/j.mssp.2025.109363","DOIUrl":"10.1016/j.mssp.2025.109363","url":null,"abstract":"<div><div>The van der Waals heterojunction is a perspective approach since it can usually circumvent the shortcoming of the based components and retain their respective benefits. The weak interactions between the layers may also enable them revealing new promising physical properties. Therefore, in this work the structural and electronic properties of the MgGeN<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>/WS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> heterostructures were systematically investigated using first-principles calculations. It showed that the formed heterostructures in different stackings can stabilize and mostly act as type-II heterojunctions, with an intrinsic electric field showing at the interface between MgGeN<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> and WS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> layers. Different stacking models give varied band gaps, which ranges from 0.901 eV to 1.340 eV. Meanwhile, double the thickness of WS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> layer does not significantly change the band structure. Finally, the optical absorption spectra were calculated and discussed for potential applications, with an enhancement in visible range by forming heterojunction.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109363"},"PeriodicalIF":4.2,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143420387","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
Visible-light responsive Z-scheme Ti3C2 MXene/In2S3/CeO2 heterojunction for enhanced photocatalytic water purification
IF 4.2 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-02-14 DOI: 10.1016/j.mssp.2025.109379
Jingbo Ni , Vittorio Boffa , Klaus Westphal , Deyong Wang , Peter Kjær Kristensen , Paola Calza
{"title":"Visible-light responsive Z-scheme Ti3C2 MXene/In2S3/CeO2 heterojunction for enhanced photocatalytic water purification","authors":"Jingbo Ni ,&nbsp;Vittorio Boffa ,&nbsp;Klaus Westphal ,&nbsp;Deyong Wang ,&nbsp;Peter Kjær Kristensen ,&nbsp;Paola Calza","doi":"10.1016/j.mssp.2025.109379","DOIUrl":"10.1016/j.mssp.2025.109379","url":null,"abstract":"<div><div>Sun-driven photocatalysis has emerged as a promising and sustainable approach for the degradation of organic pollutants in water, offering a green solution to the global challenge of clean water for everybody. The efficiency of this process is largely determined by advanced photocatalysts. Semiconductor-based heterojunctions play a crucial role by facilitating rapid charge transfer, acting as electron mediators for redox reactions, and accelerating photocatalytic activity through synergistic effects. In this study, we successfully fabricated a novel Ti<sub>3</sub>C<sub>2</sub> MXene/In<sub>2</sub>S<sub>3</sub>/CeO<sub>2</sub> (TMIC) Z-scheme heterojunction using a simple in situ synthesis and deposition method. Initially, we determined that the optimal ratio of CeO<sub>2</sub> to In<sub>2</sub>S<sub>3</sub> was 15 %. After incorporating Ti<sub>3</sub>C<sub>2</sub> MXene, electro-optical measurements, and catalytic activity tests indicated that the Ti<sub>3</sub>C<sub>2</sub> MXene<sub>0.0025</sub>/In<sub>2</sub>S<sub>3</sub>/CeO<sub>2</sub> (TM<sub>0.025</sub>IC-15 %) heterojunction exhibited the optimal photodegradation performance, degrading over 92 % of methyl orange within 60 min and 99.7 % of diclofenac within 180 min. This performance was superior to both the individual components and other reported heterojunctions. Additionally, the TMIC heterojunction demonstrated excellent stability under our testing conditions and maintained satisfactory activity in a real municipal wastewater treatment plant effluent. This research presents a novel approach to advancing Z-scheme heterojunction photocatalyst design, demonstrating significant potential for practical wastewater treatment.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"191 ","pages":"Article 109379"},"PeriodicalIF":4.2,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143402613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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