Materials Science in Semiconductor Processing最新文献

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High performance room-temperature NH3 sensor based on WO3/ZnO heterostructure 基于WO3/ZnO异质结构的高性能室温NH3传感器
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-23 DOI: 10.1016/j.mssp.2025.109992
Yongqiang Liu , Jin Li
{"title":"High performance room-temperature NH3 sensor based on WO3/ZnO heterostructure","authors":"Yongqiang Liu ,&nbsp;Jin Li","doi":"10.1016/j.mssp.2025.109992","DOIUrl":"10.1016/j.mssp.2025.109992","url":null,"abstract":"<div><div>Reliable selectivity and low power consumption are two inevitable requirements for the new generation of gas sensors. In this paper, NH<sub>3</sub> sensors based on WO<sub>3</sub>/ZnO with high sensing performance at room temperature were prepared. Compared with the conventional WO<sub>3</sub>-based gas-sensitive sensor, the WO<sub>3</sub>/ZnO-2 gas-sensitive sensor exhibits high response (91.62, 50 ppm), high selectivity, and long-term stability at room temperature. Moreover, it also achieves fast response/recovery times (3.5 s/1.6 s) and low theoretical limit of detection (0.127 ppm), which makes it possible to detect the presence of low concentrations of NH<sub>3</sub> quickly. The excellent gas-sensitive performance of the sensor can be ascribed to the synergistic interaction between WO<sub>3</sub> and ZnO, as well as the increase in oxygen vacancy and adsorbed oxygen content. This study provides guidance for developing cost-effective and high-performance room temperature NH<sub>3</sub> sensors.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109992"},"PeriodicalIF":4.6,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144889519","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
Dual optical thermometry in the near-infrared: temperature-driven luminescence in Yb3+/Er3+‐doped NaYF4 phosphor 近红外双光学测温:Yb3+/Er3+掺杂NaYF4荧光粉的温度驱动发光
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-23 DOI: 10.1016/j.mssp.2025.109981
Sushree Bedamati , R. Arun Kumar , Przemysław Woźny , Natalia Jurga , Kaushal Kumar
{"title":"Dual optical thermometry in the near-infrared: temperature-driven luminescence in Yb3+/Er3+‐doped NaYF4 phosphor","authors":"Sushree Bedamati ,&nbsp;R. Arun Kumar ,&nbsp;Przemysław Woźny ,&nbsp;Natalia Jurga ,&nbsp;Kaushal Kumar","doi":"10.1016/j.mssp.2025.109981","DOIUrl":"10.1016/j.mssp.2025.109981","url":null,"abstract":"<div><div>A dual-modal luminescence thermometer is developed based on its attention in scientific research and daily life using erbium and ytterbium co-doped sodium yttrium tetrafluoride phosphors which were synthesized by the microwave-assisted combustion technique. The structural information of the synthesized phosphors were learnt using the powder X-ray diffraction technique. The micro-particulate nature and the homogeneous distribution of particles were confirmed through SEM and EDX studies. The optical bandgap was found to be 4.92 eV from the UV–Vis–NIR absorption spectroscopy. The optical properties were studied by recording the photoluminescence spectra for NaYF<sub>4</sub>:3 mol% Yb<sup>3+</sup>, y mol% Er<sup>3+</sup> samples, and their colorimetric and photometric properties were additionally investigated. The prepared phosphors exhibit the relative sensitivities of 1.08 %K<sup>−1</sup>, 1.26 %K<sup>−1</sup>, 0.11 %K<sup>−1</sup> as obtained through the FIR (TCL), FIR (NTCL), and chromaticity coordinates, respectively. The photoluminescent performances certify that phosphor has a wide range of possible application in display technique, temperature sensing in addition to IR detection.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109981"},"PeriodicalIF":4.6,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144892242","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
Amalgamated organic polymer of PVA/P(VDF-TrFE) as back gate dielectric in WS2 FET fabrication 聚乙烯醇/聚乙烯醇汞化有机聚合物(VDF-TrFE)作为WS2场效应晶体管的后门介电材料
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-23 DOI: 10.1016/j.mssp.2025.109979
Arpita Roy, Biplob Mondal
{"title":"Amalgamated organic polymer of PVA/P(VDF-TrFE) as back gate dielectric in WS2 FET fabrication","authors":"Arpita Roy,&nbsp;Biplob Mondal","doi":"10.1016/j.mssp.2025.109979","DOIUrl":"10.1016/j.mssp.2025.109979","url":null,"abstract":"<div><div>2D WS<sub>2</sub> channel combined with organic polymer dielectrics have garnered significant attention due to their promising applications in FETs, owing to their exceptional mechanical flexibility and cost-effective fabrication process. WS<sub>2</sub> FETs with polymer dielectrics not only surpass the thermal constraints but also enable low-voltage operation, providing a notable advantage over traditional devices. Conventional SiO<sub>2</sub> dielectrics often suffer from high oxide trap density, which adversely affects device performance. To address these issues, this study proposes the incorporation of a stack of low-k and high-k organic polymer dielectrics in WS<sub>2</sub>-FET fabrication, enabling low-voltage operation at room temperature. Polymer gate dielectrics have demonstrated a remarkable ability to enhance the efficiency of 2D WS<sub>2</sub>-FETs, contributing to the development of versatile and energy-efficient device architectures. This work demonstrates the fabrication and electrical characterization of WS<sub>2</sub>-FETs using a PVA/P(VDF-TrFE) organic polymer dielectric stack. The findings reveal that the few-layer WS<sub>2</sub>-FET structures exhibit a field-effect mobility (μ<sub>FE</sub>) of ∼215.2 cm<sup>2</sup>/Vs and I<sub>ON</sub>/I<sub>OFF</sub> current ratio of around ∼10<sup>7</sup>.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109979"},"PeriodicalIF":4.6,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144890771","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
Microstructural evolution and residual stress distribution of 55 % SiCp/ZL102 composite joint brazed with Al77Cu20Ti3 filler Al77Cu20Ti3钎料钎焊55% SiCp/ZL102复合接头的显微组织演变及残余应力分布
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109987
Siyan Fan, Dongfeng Cheng
{"title":"Microstructural evolution and residual stress distribution of 55 % SiCp/ZL102 composite joint brazed with Al77Cu20Ti3 filler","authors":"Siyan Fan,&nbsp;Dongfeng Cheng","doi":"10.1016/j.mssp.2025.109987","DOIUrl":"10.1016/j.mssp.2025.109987","url":null,"abstract":"<div><div>In this study, the 55 % SiCp/ZL102 composite was connected by the Al<sub>77</sub>Cu<sub>20</sub>Ti<sub>3</sub> filler through vacuum brazing. The effect of the holding time on the microstructure evolution and mechanical properties of brazed joints was investigated. It was found that with the extension of the holding time, the reactants in the weld were increased, and the Ti-Al-Si ternary compound was the main compound in the weld. The Si element mainly came from the diffusion of the matrix alloy. The maximum shear strength of 81 MPa was obtained for joints brazed at 590 °C for 45 min. The fracture is distributed with tear ridges and tongue-like patterns, which is quasi-cleavage fracture. The finite element software ABAQUS was used to simulate the residual stress of the brazed joint. The simulation results showed that the mismatch of deformation degree between the filler and the base metal caused residual stress concentrated in the brazing seam.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109987"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144889517","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
Tetragonal gallium phosphide monolayer: A promising anode material for sodium-ion batteries 四方磷化镓单层:一种很有前途的钠离子电池负极材料
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109968
Nguyen Xuan Sang , Ismail Shahid , K.D. Pham
{"title":"Tetragonal gallium phosphide monolayer: A promising anode material for sodium-ion batteries","authors":"Nguyen Xuan Sang ,&nbsp;Ismail Shahid ,&nbsp;K.D. Pham","doi":"10.1016/j.mssp.2025.109968","DOIUrl":"10.1016/j.mssp.2025.109968","url":null,"abstract":"<div><div>In this study, we systematically investigate the crystal structure, electronic properties, and mechanical behavior of the tetragonal GaP monolayer. Furthermore, we examine the adsorption characteristics of Na atoms on the GaP monolayer and evaluate its practical viability as an anode material for sodium-ion batteries. Our findings reveal that the tetragonal GaP monolayer exhibits metallic characteristics and possesses remarkable mechanical flexibility. Notably, it demonstrates anisotropic mechanical responses and a low Na-ion diffusion energy barrier of 0.23 eV. Additionally, the GaP monolayer shows a high theoretical storage capacity of 798.46 mAh/g along with a moderate working voltage, making it a promising candidate for Na-ion battery applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109968"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144885898","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
Lithium-free hyperpure germanium detectors with enhanced thickness, area, and segmentation via pulsed laser melting 通过脉冲激光熔化增强厚度、面积和分割的无锂超纯锗探测器
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109967
S. Bertoldo , C. Carraro , G. Maggioni , W. Raniero , F. Sgarbossa , F. Nicolasi , D.R. Napoli , E. Napolitani , D. De Salvador
{"title":"Lithium-free hyperpure germanium detectors with enhanced thickness, area, and segmentation via pulsed laser melting","authors":"S. Bertoldo ,&nbsp;C. Carraro ,&nbsp;G. Maggioni ,&nbsp;W. Raniero ,&nbsp;F. Sgarbossa ,&nbsp;F. Nicolasi ,&nbsp;D.R. Napoli ,&nbsp;E. Napolitani ,&nbsp;D. De Salvador","doi":"10.1016/j.mssp.2025.109967","DOIUrl":"10.1016/j.mssp.2025.109967","url":null,"abstract":"<div><div>In this work, we present the optimization process of an innovative technology to create a thin, thermally stable, and segmentable n-type junction for the fabrication of segmented hyperpure germanium (HPGe) detectors. The core of this approach involves depositing doping atoms through magnetron sputtering and diffusing them into germanium using the Pulsed Laser Melting (PLM) technique. PLM enables rapid melting of a thin germanium layer, allowing substitutional incorporation of dopants during the subsequent epitaxial regrowth. In previous works, we have successfully used this technology for producing junctions on small-sized detectors. Here, we extend the application of the technology to larger-area, segmented, and thick detectors. Initially, we developed a thin prototype detector featuring six segments, demonstrating the feasibility of the PLM junction. Spectroscopic measurements revealed good energy resolution and the capability for gamma-ray position identification. Crucially, the junction proved thermally stable after annealing typically used for neutron damage recovery. We then extended this technology to thicker detectors up to 2 cm, requiring optimization of each process step due to the junction thinness and abruptness. Improvements included dust reduction, chemical surface cleaning, gold-free photolithography, chemical-mechanical polishing, and contact pressure reduction using metal-coated polymer sheets. The optimized process yielded a detector prototype with breakdown voltage significantly higher than the depletion voltage, enabling its effective use as gamma radiation detector. This technology paves the way for next-generation segmented HPGe detectors with precise event localization, enhancing imaging and tracking capabilities for applications in nuclear physics, medical diagnostics, homeland security, and space research.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109967"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144885896","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
S-scheme heterojunction of 0D p-type Cu2O and 3D n-type Fe3O4@SiO2@ZnO for efficiently boosting CO2 photoreduction 0D p型Cu2O与3D n型Fe3O4@SiO2@ZnO的s型异质结高效促进CO2光还原
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109990
Shuang Wang , Jiaze Wang , Xiaoyan Liu , Junkai Zhang , Jian Cao , Hougang Fan , Maobin Wei , Lili Yang , Xin Li , Qiong Wu
{"title":"S-scheme heterojunction of 0D p-type Cu2O and 3D n-type Fe3O4@SiO2@ZnO for efficiently boosting CO2 photoreduction","authors":"Shuang Wang ,&nbsp;Jiaze Wang ,&nbsp;Xiaoyan Liu ,&nbsp;Junkai Zhang ,&nbsp;Jian Cao ,&nbsp;Hougang Fan ,&nbsp;Maobin Wei ,&nbsp;Lili Yang ,&nbsp;Xin Li ,&nbsp;Qiong Wu","doi":"10.1016/j.mssp.2025.109990","DOIUrl":"10.1016/j.mssp.2025.109990","url":null,"abstract":"<div><div>The design of S-scheme heterojunctions has emerged as a compelling strategy to engineer high-performance photocatalysts for solar-driven CO<sub>2</sub> reduction. In this paper, a novel magnetic 3D/0D Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>@ZnO/Cu<sub>2</sub>O (FSZC) photocatalyst was developed through a stepwise synthesis strategy. An S-scheme heterojunction was successfully constructed by assembling p-type Cu<sub>2</sub>O nanoparticles (NPs) onto n-type ZnO nanorods (NRs) through the liquid-phase reduction. The robust interfacial bonding between Cu<sub>2</sub>O NPs and ZnO NRs can be clearly observed in both SEM and TEM images. The synergistic effect of the p-n heterojunction's built-in electric field and the S-scheme electron transfer mechanism significantly boosts photogenerated charge separation and migration, thereby substantially optimizing the material's CO<sub>2</sub> photoreduction activity. After 4 h of UV–vis illumination, FSZC6 yielded 203.12 μmol/g CO and 7.12 μmol/g CH<sub>4</sub>, representing 4.14-fold and 8.79-fold enhancements over FSZ, respectively. The enhancement mechanism for CO<sub>2</sub> photoreduction was systematically illuminated. The experimental results demonstrate that this novel magnetic S-scheme heterojunction photocatalyst exhibits high efficiency, recyclability, and stability.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109990"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144889518","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
Elevating performance of ZnSnO3/rGO nanomaterials for supercapacitors devices 提高ZnSnO3/rGO纳米材料在超级电容器器件中的性能
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109937
F.F. Alharabi , Nidhal Drissi , Hala M. Abo-Dief , Abdelaziz Gassoumi , Abhinav Kumar , Hidayath Mirza , Tahleel Jabbar , Saira Riaz
{"title":"Elevating performance of ZnSnO3/rGO nanomaterials for supercapacitors devices","authors":"F.F. Alharabi ,&nbsp;Nidhal Drissi ,&nbsp;Hala M. Abo-Dief ,&nbsp;Abdelaziz Gassoumi ,&nbsp;Abhinav Kumar ,&nbsp;Hidayath Mirza ,&nbsp;Tahleel Jabbar ,&nbsp;Saira Riaz","doi":"10.1016/j.mssp.2025.109937","DOIUrl":"10.1016/j.mssp.2025.109937","url":null,"abstract":"<div><div>The demand of energy increases globally, and it seeks the consideration of researchers to fabricate the energy storing devices to fulfill the uninterruptible demand of energy. Therefore, a similar approach was used here, and a ZnSnO<sub>3</sub>/rGO composite electrode material was fabricated via facile solvothermal approach for supercapacitor application. The material was tested via different physical characterization techniques like X-ray diffraction (XRD), Energy Dispersive spectroscopy (EDS), scanning electron microscopy (SEM), Infrared spectroscopy (FT-IR) and Brunauer-Emmett-Teller surface area analysis (BET) was used to confirmed the crystallinity, composition, morphology, functionality and surface area of all fabricated material, respectively. Furthermore, the different electrochemical test (CV, GCD, ECSA, and EIS) were performed in alkaline 3 M (KOH) electrolytic solution to observe electrochemical behaviour of all prepared material. The ZnSnO<sub>3</sub>/rGO composite shows a significant specific capacitance 1149.6 F g<sup>−1</sup> at C<sub>d</sub> 1 A g<sup>−1</sup>, having energy density (86.6 Wh kg<sup>−1</sup>) and power density (368.3 W kg<sup>−1</sup>). Thus, all these conclusions indicate that the ZnSnO<sub>3</sub>/rGO is a best applicant for energy storage and conversion application.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109937"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144885894","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
Study on dislocation propagation in 300-mm Si wafer during a high thermal budget process 高热收支过程中300-mm硅片位错扩展研究
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109977
Jiuyang Yuan , Bozhou Cai , Yoshiji Miyamura , Wataru Saito , Shin-ichi Nishizawa
{"title":"Study on dislocation propagation in 300-mm Si wafer during a high thermal budget process","authors":"Jiuyang Yuan ,&nbsp;Bozhou Cai ,&nbsp;Yoshiji Miyamura ,&nbsp;Wataru Saito ,&nbsp;Shin-ichi Nishizawa","doi":"10.1016/j.mssp.2025.109977","DOIUrl":"10.1016/j.mssp.2025.109977","url":null,"abstract":"<div><div>An experimental method was developed to investigate the relationship between dislocation propagation and temperature distribution in a 300-mm Si wafer during high thermal budget processes. Thermal budget processes such as oxidation and diffusion in Si insulated gate bipolar transistors (Si-IGBTs) fabrication can induce thermal stress due to temperature nonuniformity in wafers, potentially leading to dislocation propagation. This phenomenon may degrade both the wafer crystal quality and device performance. Therefore, it is important to suppress dislocation propagation in Si wafers during high thermal budget processes. In this study, we conducted N2 annealing experiments using a rapid thermal annealing furnace, which can create temperature distributions in wafers. In addition, we proposed a 300-mm wafer model for analyzing the temperature, stress and dislocation density. The calculated dislocation density distribution strongly agrees with the slip dislocations measured via X-ray topography, confirming that higher radial temperature gradients result in more dislocation propagation at higher temperatures. Furthermore, significant dislocation propagation causes lifetime degradation in Si wafers.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109977"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144885895","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
Molecular insights into NO2 sensing through doped armchair graphene nanoribbon 通过掺杂扶手椅石墨烯纳米带对NO2传感的分子洞察
IF 4.6 3区 工程技术
Materials Science in Semiconductor Processing Pub Date : 2025-08-22 DOI: 10.1016/j.mssp.2025.109976
Kamal Solanki , Ayush Kumar Pandit , Manoj Kumar Majumder (Senior Member, IEEE)
{"title":"Molecular insights into NO2 sensing through doped armchair graphene nanoribbon","authors":"Kamal Solanki ,&nbsp;Ayush Kumar Pandit ,&nbsp;Manoj Kumar Majumder (Senior Member, IEEE)","doi":"10.1016/j.mssp.2025.109976","DOIUrl":"10.1016/j.mssp.2025.109976","url":null,"abstract":"<div><div>An escalating concern from the Nitrogen dioxide (NO<sub>2</sub>) molecules induces respiratory issues, necessitating the development of highly sensitive sensors. In response to this pressing issue, the research proposed a novel methodology leveraging hydrogen (<em>H</em>) passivated armchair graphene nanoribbons (ArGNR). These nanoribbons are successively substituted with reactive non-metal phosphorus (<em>P</em>) and post-transition metals (aluminum (<em>Al</em>) and gallium (<em>Ga</em>)) to enhance the sensitivity of the ArGNR to the NO<sub>2</sub> molecules. The introduction of this dopant increases the density of adsorption sites, leading to a higher interaction with the NO<sub>2</sub> molecule. Moreover, to ensure accuracy, the electronic properties are rigorously examined through the density functional theory (DFT) with spin polarization and unpolarization calculation, within the linear combination of atomic orbitals (LCAO) framework. Initially, the investigation focuses on a width-3 ArGNR, substituted with <em>P</em> at all the carbon (<em>C</em>) sites, and identifies an optimal site for the dopant incorporation. Subsequently, the <em>Al</em> and <em>Ga</em> substitution at these sites results in a notable 10–20 % increase in adsorption energy (<em>E</em><sub><em>ads</em></sub>) compared to the <em>P</em>-doped ArGNR. In addition, the research extended to the wider ArGNR (widths of 4 and 5 <em>C</em> atoms), where the introduction of dopants further influences the electronic properties. The results demonstrate that the <em>Al</em>-doped width-3 ArGNR exhibits optimal <em>E</em><sub><em>ads</em></sub> and increased desorption (<em>r</em><sub><em>des</em></sub>) of −3.32 eV and 0.17 eV, following NO<sub>2</sub> adsorption, respectively. The band gap (<em>E</em><sub><em>G</em></sub>) also delineates a decrement of 42.5 % post-adsorption, signifying a high sensitivity. Furthermore, it is discerned that <em>Al</em> manifests as a promising dopant in ArGNR for sensing.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"200 ","pages":"Article 109976"},"PeriodicalIF":4.6,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144885897","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
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