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Self-powered nn heterojunction UV imaging photodetectors based onin-situ-grown MAPbCl3microplates on GaN substrates. 基于原位生长MAPbCl3微孔板的自供电nn异质结紫外成像光电探测器。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1088/1361-6528/ae2a3a
Liangpan Yang, Lang Wang, Yuxiang Hu, Pengbin Gui

Self-powered ultraviolet (UV) photodetectors are widely applicable in various fields due to their ability to operate autonomously, offering unparalleled portability and flexibility. In this letter, a high-performance self-powered UV photodetector based on MAPbCl3/GaN nn heterojunction is demonstrated. The n-MAPbCl3microplates were grownin situon the n-GaN substrate using a simple solution process. Thanks to the differences in the energy band between MAPbCl3and GaN, a built-in electric field is formed, which facilitates efficient separation of photo-generated charge carriers. This enables the photodetector to operate without the need of an external bias voltage. Furthermore, the wide bandgap of both MAPbCl3and GaN endows the photodetector with exceptional sensitivity to UV light. The optimized MAPbCl3/GaN device exhibits high-performance metrics, including low dark current and noise, high photo to dark current ratio, responsivity, and detectivity at zero bias.

自供电紫外(UV)光电探测器由于其自主操作的能力,提供了无与伦比的便携性和灵活性,广泛应用于各个领域。本文介绍了一种基于GaN/ mapbcl3微孔板异质结的高性能自供电紫外光电探测器。采用简单的溶液法在n-GaN衬底上原位生长n- mapbcl3微孔板。由于MAPbCl 3和GaN之间的能带差异,形成了内置电场,有利于光生电荷载流子的有效分离。这使得光电探测器无需外部偏置电压即可工作。此外,mapbcl3和GaN的宽带隙使光电探测器对紫外光具有优异的灵敏度。优化后的GaN/ mapbcl3器件具有高性能指标,包括低暗电流和噪声、高光暗电流比、响应性和零偏置探测性。
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引用次数: 0
Thermostable amylases from thermophilic microbes: advances in production, engineering, and industrial applications. 来自嗜热微生物的耐热淀粉酶:生产、工程和工业应用的进展。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1088/1361-6528/ae2f66
Vedant Vala, Tejaskumar Suhagia, Vassundhara Raina, Alpesh Gurjar, Shailesh K Srivastava, Poonam Jain, Alle Madhusudhan

Amylases are essential enzymatic macromolecules widely employed in industrial sectors such as starch processing, textiles, detergents, paper manufacturing, pharmaceuticals, and biomedical research. Among α-, β-, and γ-amylases, thermostable α-amylases from thermophilic microbes show high catalytic activity and structural stability under heat, pH variation, and solvent stress. These properties make them valuable for stable, contamination-resistant, and efficient bioprocesses. Thermostable amylases also hold promise in biomedical fields, including diagnostics, enzyme replacement therapy, and nanocarrier-based drug delivery. This review summarizes microbial sources and production approaches for thermostable amylases, highlighting submerged and solid-state fermentation methods. The discussion also outlines optimization of carbon and nitrogen substrates, fermentation duration, and moisture control strategies that directly influence enzyme yield and activity. Factors governing enzyme yield and stability are analyzed, including nutrient balance, pH, temperature, and moisture. Despite their potential, widespread application remains limited by low native production yields, suboptimal heterologous expression, and functional trade-offs between thermostability and enzymatic activity. Recent advances in protein engineering (rational design and directed evolution), omics-driven strain improvement, and nanotechnology integration provide paths to address these limitations. By integrating these strategies, researchers are achieving enzymes with longer operational lifetimes, higher substrate specificity, and improved reusability under industrial and physiological conditions. These advances highlight the growing relevance of thermostable amylases in industrial biotechnology and biomedical research.

淀粉酶是一种重要的酶大分子,广泛应用于淀粉加工、纺织、洗涤剂、造纸、制药和生物医学研究等工业领域。在α-、β-和γ-淀粉酶中,来自嗜热微生物的耐热性α-淀粉酶在高温、pH变化和溶剂胁迫下表现出较高的催化活性和结构稳定性。这些特性使它们在稳定、抗污染和高效的生物过程中具有价值。耐热淀粉酶在生物医学领域也很有前景,包括诊断、酶替代疗法和基于纳米载体的药物输送。本文综述了耐热淀粉酶的微生物来源和生产方法,重点介绍了液体发酵和固态发酵方法。讨论还概述了优化碳和氮底物,发酵持续时间和水分控制策略,直接影响酶的产量和活性。分析了控制酶产量和稳定性的因素,包括营养平衡、pH值、温度和湿度。尽管它们具有潜力,但其广泛应用仍然受到本地产量低、非最佳异种表达以及热稳定性和酶活性之间的功能权衡的限制。蛋白质工程(理性设计和定向进化)、基因组学驱动的菌株改进和纳米技术集成的最新进展为解决这些限制提供了途径。通过整合这些策略,研究人员正在获得具有更长的使用寿命、更高的底物特异性以及在工业和生理条件下更好的可重复使用性的酶。这些进展突出了耐热淀粉酶在工业生物技术和生物医学研究中的日益重要的意义。
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引用次数: 0
Recent developments in electrocatalytic oxidation of glycerol for value-added products synthesis. 甘油电催化氧化合成增值产品的最新进展。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-19 DOI: 10.1088/1361-6528/ae2a38
Lipeng Guo, Shengyin Shui, Linlin Zhang, Qianqian Hu, Shuting Xu, Zhefei Zhao, Huajun Zheng

Glycerol, one of the important bio-platform molecules, is produced in large quantities as a byproduct in the biodiesel industry. It is imperative to convert glycerol into more value-added products (such as dihydroxyacetone, glyceraldehyde, glyceric acid, tartronic acid (TA), mesoxalic acid, glycolic acid, and formic acid) through various methods. Currently, the glycerol electrocatalytic oxidation reaction (GEOR) is one of the most promising routes owing to the mild operating conditions, efficient conversion, and high energy utilizations via coupling the cathodic reaction. In this review, we systematically introduce the recent advances in GEOR for the application of various products synthesis, focusing on the influence of reaction conditions, types of catalysts, and involved oxidation pathway and mechanisms. Furthermore, novelty coupled systems of GEOR and other cathodic reactions are summarized. Lastly, the subsistent challenges and perspectives are highlighted for GEOR.

甘油是一种重要的生物平台分子,是生物柴油工业中大量生产的副产品。必须通过各种方法将甘油转化为附加值更高的产品(如二羟基丙酮(DHA)、甘油醛(GLD)、甘油三酸(GLA)、酒石酸(TA)、中草酸(MA)、乙醇酸(GA)和甲酸(FA))。甘油电催化氧化反应(GEOR)具有操作条件温和、转化效率高、与阴极反应耦合能量利用率高等优点,是目前最有发展前途的途径之一。本文系统介绍了近年来GEOR在各种产物合成中的应用进展,重点介绍了反应条件、催化剂类型、氧化途径和氧化机理等方面的影响。此外,还总结了GEOR与其他阴极反应的新型耦合体系。最后,强调了GEOR面临的挑战和前景。
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引用次数: 0
Synergistic enhancement of photocatalytic methylene blue degradation by In2O3/Bi2O3heterojunction toward environmental remediation. In2O3/Bi2O3异质结对环境修复光催化亚甲基蓝降解的协同增强作用。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-18 DOI: 10.1088/1361-6528/ae291f
Xiao-Ying Bi, Yuan-Jun Song, Fei Sun, Peng Xia, Yuan Zou, Xiao-Yang Zhang, Tong Zhang

The development of efficient heterojunction photocatalysts for environmental remediation remains challenging due to rapid charge recombination and insufficient active sites in conventional single-component systems. This study developed a facile wet impregnation method of In2O3-Bi2O3heterojunction photocatalysts with tunable compositions for enhanced visible-light-driven photocatalytic degradation. By systematically modulating the In2O3to Bi2O3ratio, the optical properties, electronic structures, and photocatalytic activities of the materials can be precisely manipulated. The optimized 30% In2O3-Bi2O3heterojunction exhibited a remarkable methylene blue degradation efficiency of 93% under visible light, outperforming pure In2O3and Bi2O3. Mechanistic studies revealed that the type-II band alignment facilitated spatial separation of photogenerated electron-hole pairs and enhanced redox capacity. Furthermore, the surface oxygen vacancies of materials introduced by the alkaline etching method were found to significantly enhance the availability of active sites and optimize the band structure, contributing to a notable increase in photocatalytic activity. These heterojunctions also exhibited remarkable stability, retaining over 90% degradation efficiency after five consecutive cycles. This study indicates the significant potential of In2O3-Bi2O3heterojunctions for enhancing environmental remediation and solar energy conversion initiatives, and also introduces a straightforward and effective synthesis approach to photocatalyst design by composition regulation and defect engineering.

由于传统的单组分体系中电荷重组快速和活性位点不足,开发用于环境修复的高效异质结光催化剂仍然具有挑战性。本研究开发了一种简便的一锅合成In2O3/Bi2O3异质结光催化剂,其成分可调,以增强可见光驱动的光催化降解。通过系统地调节In2O3与Bi2O3的比例,可以精确地控制材料的光学性质、电子结构和光催化活性。优化后的30% In2O3-Bi2O3异质结在可见光下对亚甲基蓝(MB)的降解效率达到93%,优于纯In2O3和Bi2O3。机制研究表明,ii型带对准促进了光生电子-空穴对的空间分离,增强了氧化还原能力。此外,通过碱性蚀刻方法引入的材料表面氧空位显著提高了活性位点的可用性,优化了能带结构,从而显著提高了光催化活性。这些异质结也表现出了显著的稳定性,在连续5次循环后保持了90%以上的降解效率。该研究表明了In2O3-Bi2O3异质结在加强环境修复和太阳能转化方面的巨大潜力,并通过成分调节和缺陷工程介绍了一种创新的光催化剂设计方法。
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引用次数: 0
Optimized polymer wrapping for high-purity semiconducting carbon nanotubes in field-effect transistors. 场效应晶体管中高纯度半导体碳纳米管的优化聚合物封装。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1088/1361-6528/ae268b
Changwoo Yu, Jin-Heong Yim, Jihoon Kim, Seung-Hoon Lee

Single-walled carbon nanotubes (SWNTs) are promising materials for next-generation electronics, but their application is limited by the coexistence of semiconducting (s-SWNTs) and metallic (m-SWNTs) species produced during synthesis. Here, we systematically optimized the separation of s-SWNTs using the conjugated polymer poly (9,9-di-n-dodecylfluorenyl-2,7-diyl) (PFDD) by varying polymer concentration and decoupling the effects of sonication time and temperature: we evaluated temperature dependence at fixed sonication times (1, 2, and 3 h) and time dependence at fixed temperatures (25 °C, 35 °C, and 45 °C). Increasing PFDD concentration enhanced yield but reduced purity due to non-selective interactions with m-SWNTs. Excessive sonication (e.g. 45 °C for 3 h) further degraded selectivity, while extending sonication beyond 1 h offered little additional yield and shortened nanotube length. The optimal conditions-PFDD 1 mg ml-1and sonication at 45 °C for 1 h-balanced yield, purity, and length. Field-effect transistors fabricated with s-SWNTs separated under these conditions showed a low off-current (∼10-11A), a high ON/OFF ratio of 106, and a mobility of 2.2 cm2V-1s-1, confirming the effectiveness of this systematic optimization for high-performance electronic devices.

单壁碳纳米管(SWNTs)具有优异的电子和机械特性。然而,半导体(s-SWNTs)和金属SWNTs的同时存在对半导体应用提出了重大挑战。在本研究中,我们通过调整聚合物浓度、超声温度和超声时间,系统地优化了利用共轭聚合物聚(9,9-二-正十二烷基氟芴基-2,7-二基)(PFDD)分离s- swcnts的工艺。随着PFDD浓度的增加,s-SWNT产率提高;然而,与金属单壁碳纳米管的强相互作用导致纯度下降。超过1小时的超声时间对s-SWNT产量的提高没有显著贡献,反而导致s-SWNT长度的减少。在25°C到45°C的超声温度范围内,s- swnt的产率没有显著变化。这表明在这个范围内存在足够的PFDD侧链迁移率,可以有效地包裹SWNT。使用优化后的s- swnt溶液,制备的场效应晶体管的关断电流为~10¹A,高开/关比为~10⁶,场效应迁移率为2.2 cm²V⁻¹s,证实了分离技术的有效性。
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引用次数: 0
Light extraction of oblique emissions via collecting the local quasi-mode evanescent wave at the subwavelength scale. 在亚波长尺度上收集局域准模倏逝波的斜发射光提取。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1088/1361-6528/ae2872
Sheng Hsiung Chang

Oblique light emissions are reflected from the interface owing to the total internal reflection. It is found that a waveguide can be used to effectively collect the oblique light emissions of aligned organic dipoles because of the formation of a local quasi-mode evanescent wave. The numerical results show that the highest coupling efficiency and 3 dB spatial deviation of transverse magnetic (transverse electric) wave are 74.3% (78.9%) and 4.1μm (5.2μm), respectively. The proposed structure can be used in an organic light-emitting device for the applications of silicon photonic integrated circuits.

斜射光由于全内反射从界面反射。发现波导可以有效地收集定向有机偶极子的斜发射光,因为它形成了局域准模倏逝波。数值计算结果表明,横向磁(电)波的最高耦合效率和3dB空间偏差分别为74.3%(78.9%)和4.1 μm (5.2 μm)。该结构可用于硅光子集成电路应用的有机发光器件。
{"title":"Light extraction of oblique emissions via collecting the local quasi-mode evanescent wave at the subwavelength scale.","authors":"Sheng Hsiung Chang","doi":"10.1088/1361-6528/ae2872","DOIUrl":"10.1088/1361-6528/ae2872","url":null,"abstract":"<p><p>Oblique light emissions are reflected from the interface owing to the total internal reflection. It is found that a waveguide can be used to effectively collect the oblique light emissions of aligned organic dipoles because of the formation of a local quasi-mode evanescent wave. The numerical results show that the highest coupling efficiency and 3 dB spatial deviation of transverse magnetic (transverse electric) wave are 74.3% (78.9%) and 4.1<i>μ</i>m (5.2<i>μ</i>m), respectively. The proposed structure can be used in an organic light-emitting device for the applications of silicon photonic integrated circuits.</p>","PeriodicalId":19035,"journal":{"name":"Nanotechnology","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145687732","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Engineering monolayer Ti3C2Tx-Ni/C heterostructures for enhanced hydrogen evolution catalysis. 工程单层Ti3C2Tx-Ni/C异质结构增强析氢催化。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1088/1361-6528/ae2625
Zhi Hong, Kai Ou, Zengkun You, Wenting Zhang, Jia Luo, Yudong Xia

With the growing demand for clean energy technologies, the development of highly efficient hydrogen evolution reaction (HER) electrocatalysts has become increasingly critical for advancing renewable energy systems. In this work, a heterostructure catalyst was fabricated by constructing an interface between a Ni/C-doped nanofilm and monolayer Ti3C2Txusing a magnetron sputtering technique. In 1 M KOH, the optimized catalyst with a Ni/C doping ratio of 1:1 exhibited excellent catalytic performance and long-term stability, delivering a low overpotential of 111 mV at a current density of 10 mA cm-2. The catalyst maintained its high activity after a 24 h stability test. The enhanced HER activity can be ascribed to the formation of the heterointerface, which promotes efficient adsorption of H+and desorption of H2, along with the synergistic interaction between Ni and C species. This study presents a rational strategy for constructing high-performance, durable, and cost-effective HER electrocatalysts based on Ti3C2Tx@NiC heterostructures.

随着人们对清洁能源技术的需求日益增长,开发高效析氢反应(HER)电催化剂对于推进可再生能源系统变得越来越重要。本文采用磁控溅射技术,在Ni/ c掺杂纳米膜与单层Ti3C2Tx之间构建界面,制备了异质结构催化剂。在1 M KOH条件下,优化后的Ni/C掺杂比为1:1的催化剂表现出优异的催化性能和长期稳定性,在电流密度为10 mA·cm-2时,其过电位低至111 mV。经过24 h的稳定性试验,催化剂保持了较高的活性。HER活性的增强可以归因于异质界面的形成,促进了H+的有效吸附和H2的解吸,以及Ni和C之间的协同相互作用。本研究提出了一种基于Ti3C2Tx@NiC异质结构构建高性能、耐用且具有成本效益的HER电催化剂的合理策略。
{"title":"Engineering monolayer Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>-Ni/C heterostructures for enhanced hydrogen evolution catalysis.","authors":"Zhi Hong, Kai Ou, Zengkun You, Wenting Zhang, Jia Luo, Yudong Xia","doi":"10.1088/1361-6528/ae2625","DOIUrl":"10.1088/1361-6528/ae2625","url":null,"abstract":"<p><p>With the growing demand for clean energy technologies, the development of highly efficient hydrogen evolution reaction (HER) electrocatalysts has become increasingly critical for advancing renewable energy systems. In this work, a heterostructure catalyst was fabricated by constructing an interface between a Ni/C-doped nanofilm and monolayer Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>using a magnetron sputtering technique. In 1 M KOH, the optimized catalyst with a Ni/C doping ratio of 1:1 exhibited excellent catalytic performance and long-term stability, delivering a low overpotential of 111 mV at a current density of 10 mA cm<sup>-2</sup>. The catalyst maintained its high activity after a 24 h stability test. The enhanced HER activity can be ascribed to the formation of the heterointerface, which promotes efficient adsorption of H<sup>+</sup>and desorption of H<sub>2</sub>, along with the synergistic interaction between Ni and C species. This study presents a rational strategy for constructing high-performance, durable, and cost-effective HER electrocatalysts based on Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>@NiC heterostructures.</p>","PeriodicalId":19035,"journal":{"name":"Nanotechnology","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145655095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An ultrasensitive gas nanosensor based on a dual-gate Schottky barrier CNT-FET with an all-terminal gas-sensitive design: a three-dimensional quantum simulation study. 基于全端气敏设计的双栅肖特基势垒碳纳米管场效应晶体管的超灵敏气体纳米传感器:三维量子模拟研究。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1088/1361-6528/ae2873
Khalil Tamersit, Antonio Di Bartolomeo

In this paper, we propose a new gas nanosensor based on a dual-gate Schottky barrier carbon nanotube field-effect transistor (DG SB-CNTFET) endowed with an all-terminal gas-sensitive configuration, investigated through full quantum-mechanical simulations. The numerical modeling is performed using the non-equilibrium green's function formalism combined with a pz-orbital nearest-neighbor tight-binding approach to describe quantum transport in SB CNTFETs. Full three-dimensional (3D) electrostatics is incorporated by self-consistently solving the Poisson equation. The sensing principle relies on gas-induced variations in the metal work function at all terminals. The 3D quantum simulation study covers transfer characteristics, potential profiles, charge density distributions, transmission coefficients, and sensitivity in both current-mode and pseudo-threshold voltage-shift mode. Four device configurations are investigated: (i) only the source terminal is sensitive, (ii) both source and drain are sensitive, (iii) source, drain, and top-gate are sensitive, and (iv) all terminals, including the back-control gate, are sensitive. The potential for sensitivity enhancement through coupling capacitance engineering is also examined. Results show that the all-terminal gas-sensitive configuration yields a substantial improvement in the constant-current gate voltage shift, enabling the detection of extremely low gas pressures. These findings establish the proposed DG SB-CNTFET-based nanosensor as a strong candidate for next-generation ultra-sensitive gas detection systems, where compact size, low power consumption, and exceptional sensitivity are critical requirements.

本文提出了一种基于双栅肖特基势垒碳纳米管场效应晶体管(DG SB-CNTFET)的新型气体纳米传感器,该传感器具有全终端气敏结构,并通过全量子力学模拟进行了研究。采用非平衡格林函数(NEGF)形式和pz轨道最近邻紧密结合的方法对肖特基势垒cntfet中的量子输运进行了数值模拟。全三维静电是由自洽解泊松方程纳入。传感原理依赖于气体引起的金属功函数在所有终端的变化。三维(3D)量子模拟研究涵盖了电流模式和伪阈值电压移模式下的传输特性、电位分布、电荷密度分布、传输系数和灵敏度。研究了四种器件配置:(i)只有源端是敏感的,(ii)源端和漏端都是敏感的,(iii)源端、漏端和顶闸都是敏感的,(iv)包括后控制门在内的所有终端都是敏感的。通过耦合电容工程提高灵敏度的潜力也进行了研究。结果表明,全端气敏结构大大改善了恒流栅极电压漂移,可以检测到极低的气体压力。这些研究结果表明,基于DG sb - cntfetts的纳米传感器是下一代超灵敏气体检测系统的有力候选者,其紧凑的尺寸、低功耗和卓越的灵敏度是关键要求。
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引用次数: 0
Growth behavior during metalorganic chemical vapor deposition of MoS2using di-tert-butyl sulfide as organic sulfur precursor. 以二叔丁基硫化物为有机硫前驱体的mos2金属有机化学气相沉积过程中的生长行为
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1088/1361-6528/ae2e05
Sanne Deijkers, Henry Medina Silva, Apostolia Manasi, Sergej Pasko, Wilhelmus M M Kessels, Adriaan Mackus, Benjamin Groven, Annelies Delabie

Metalorganic chemical vapor deposition (MOCVD) is a promising synthesis technique for two-dimensional materials such as MoS2. In this study, we controlled the growth mode of MoS2on SiO2using Mo(CO)6and di-tert-butyl sulfide (DTBS) as precursors by adjusting the process conditions. The growth was directed from amorphous deposition at 400 and 500 °C, to crystalline MoS2at 600 °C and higher. From 750 °C, not only MoS2grains were deposited, but Mo metal nuclei were also formed during the process. An enhancement of the grain size was achieved by increasing the S/Mo precursor ratio. A more effective method to enlarge the grains and to lower the number density of crystals was to anneal the SiO2substrate in Ar atmosphere prior to deposition. The reduced number density suggested that the pretreatment increased the diffusion length of Mo adatom species on the surface. Furthermore, addition of H2to the N2carrier gas had two effects on the growth mode, without altering the amount of deposited Mo. On one hand, due to a higher fraction of H2in the carrier gas, the grain size slightly increased, and on the other hand, a change towards Mo metal deposition was observed. Control of the process conditions offers the opportunity to deposit large MoS2grains without co-depositing Mo metal.

金属有机化学气相沉积(MOCVD)是一种很有前途的合成二硫化钼等二维材料的技术。在本研究中,我们通过调整工艺条件,以Mo(CO)6和二叔丁基硫化物(DTBS)为前驱体,控制MoS2on sio2的生长方式。生长方向从400和500°C的非晶沉积,到600°C或更高的结晶mos2。从750℃开始,不仅有mos2晶粒沉积,还形成了Mo金属核。通过增加S/Mo前驱体比,晶粒尺寸增大。在沉积前将sio2衬底在Ar气氛中退火是扩大晶粒和降低晶体数密度的更有效方法。减少的数目密度表明预处理增加了Mo吸附原子在表面的扩散长度。此外,在n2载气中加入h2对生长方式有两个影响,但没有改变Mo的沉积量。一方面,由于载气中h2含量的增加,晶粒尺寸略有增加,另一方面,Mo金属沉积发生了变化。控制工艺条件可以在不共沉积Mo金属的情况下沉积较大的mos2晶粒。
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引用次数: 0
DFT investigation of 5-fluorouracil interactions with aluminum and gallium-doped SWCNTs (8,8): enhanced drug delivery potential. 5-氟尿嘧啶与铝和镓掺杂SWCNTs相互作用的DFT研究(8,8):增强药物传递潜力。
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-17 DOI: 10.1088/1361-6528/ae2628
Majid Kia, Sina Ansari Movahed

Carbon nanotubes (CNTs) have gained considerable attention in drug delivery applications due to their high surface area and exceptional electronic and mechanical properties. Doping CNTs with metals like aluminum (Al) and gallium (Ga) can modify their electronic, chemical, and stability characteristics, enhancing their suitability for drug delivery. This study investigates the interaction of the drug molecule 5-fluorouracil (5-FU) with pristine and doped (8,8) CNTs using density functional theory (DFT) calculations with the B3LYP functional and the 6-31 G basis set. The results reveal significant changes in the electronic properties after doping. Aluminum doping increases the energy gap, reducing system reactivity, while gallium doping decreases the energy gap, promoting stronger interactions with the drug. Aluminum doping improves the structural stability of CNTs with 5-FU, whereas gallium enhances the chemical potential and hardness, favoring interactions with the drug molecule. In conclusion, aluminum- and gallium-doped CNTs exhibit different behaviors in drug interactions, allowing for optimization of targeted drug delivery systems. Based on energy gap, chemical potential, and chemical hardness values, both doping types can enhance drug delivery properties, with the specific doping choice dependent on the therapeutic application.

碳纳米管(CNTs)由于其高表面积和优异的电子和机械性能,在药物输送应用中获得了相当大的关注。在碳纳米管中掺杂铝(Al)和镓(Ga)等金属,可以改变碳纳米管的电子、化学和稳定性特性,增强碳纳米管在药物传递中的适用性。本研究利用密度泛函理论(DFT)计算B3LYP泛函和6-31G基集,研究了药物分子5-氟尿嘧啶(5-FU)与原始和掺杂(8,8)碳纳米管的相互作用。结果表明掺杂后电子性质发生了显著变化。铝掺杂增加了能隙,降低了系统反应性,而镓掺杂减少了能隙,促进了与药物的更强相互作用。铝掺杂提高了5-FU碳纳米管的结构稳定性,而镓则提高了碳纳米管的化学势和硬度,有利于与药物分子的相互作用。综上所述,掺杂铝和镓的碳纳米管在药物相互作用中表现出不同的行为,从而可以优化靶向给药系统。基于能隙、化学势和化学硬度值,两种掺杂类型都可以增强药物的传递性能,具体的掺杂选择取决于治疗应用。
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引用次数: 0
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