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Synthesis of biochar and its metal oxide composites and application on next sustainable electrodes for energy storage devices 生物炭及其金属氧化物复合材料的合成及其在下一代可持续储能电极中的应用
Pub Date : 2024-12-03 DOI: 10.1016/j.nxmate.2024.100444
Bruna Andressa Bregadiolli , Glauco Meireles Mascarenhas Morandi Lustosa , João Vitor Paulin , Waldir Antonio Bizzo , Lauro Tatsuo Kubota , Shuguang Deng , Talita Mazon
Biochar materials have been applied in energy storage due to their unique properties, such as high storage of ions, high conductivity, chemical stability and ease of production. Combining it with the high specific capacitance could be a promising strategy to develop devices and improve the properties. Through a hydrothermal technique the biochar powders were synthesized from sugarcane biomass. An acid pretreatment was carried out before and after the graphitization process aiming to obtain carbon materials with high surface area and porosity. The morphological characterization reveals powders with pores of submicrometer diameter. For the pure biochar it was determined a superficial area of 477.66 m2.g−1 with a median pore size of 42.92 Å and a pore volume of 0.21 cm3.g−1. A carbon-based paste was then prepared to deposit on nickel foam and obtain the electrodes. In a 3-electrode system characterization, biochar has showed higher specific capacitance than the metal oxide composites due to higher surface area and higher medium pore diameter. It was calculated a resistance of 2.7 Ω, a capacitance of 446 mF.g−1, a power density of 46.2 W.kg−1 and an energy density of 1.8 W.h.kg−1. These results indicate the potential use of biochar-based electrodes with high electrical conductivity and improved surface area to obtain higher capacitance properties for development of advanced devices.
生物炭材料由于具有离子储存量高、电导率高、化学稳定性好、易于生产等独特的性能,在储能领域得到了广泛的应用。将其与高比电容相结合可能是开发器件和改善性能的一种有前途的策略。以甘蔗为原料,采用水热法合成了生物炭粉体。在石墨化前后分别进行酸预处理,以获得具有高比表面积和高孔隙率的碳材料。形貌表征表明粉末具有亚微米孔径。纯生物炭的表面积为477.66 m2。G−1的中位孔径为42.92 Å,孔体积为0.21 cm3.g−1。然后制备碳基浆料沉积在泡沫镍上并获得电极。在三电极系统表征中,由于生物炭具有更高的比表面积和更高的介质孔径,因此比电容高于金属氧化物复合材料。经计算,其电阻为2.7 Ω,电容为446 mF。g−1,功率密度为46.2 W。能量密度为1.8 W.h.kg−1。这些结果表明,具有高导电性和改善表面积的生物炭基电极具有开发先进器件所需的更高电容性能的潜力。
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引用次数: 0
Role of molecular packing in RTP features of positional isomers: The case study of triimidazo-triazine functionalized with ethynyl pyridine moieties 分子填充在位置异构体RTP特征中的作用:以乙基吡啶基团功能化的三咪唑-三嗪为例
Pub Date : 2024-12-03 DOI: 10.1016/j.nxmate.2024.100440
Daniele Malpicci , Stefano Di Ciolo , Elena Cariati , Elena Lucenti , Daniele Marinotto , Daniele Maver , Clelia Giannini , Lucia Carlucci , Chiara Botta , Alessandra Forni
Organic materials characterized by multi-component emissive behavior including RTP features are extremely desirable for various applications. Frequently, long lasting emissions of solids are originated from intermolecular interactions whose role is far from being fully understood. In this context, positional isomers with similar molecular properties but different packing arrangement can be a useful tool to get a deeper comprehension of the mechanisms involved in the solid state emissive behavior. Here, the results obtained on two derivatives of cyclic triimidazole (TT) functionalized with a pyridin-2-yl or 4-yl ethynyl group are presented and interpreted through spectroscopical, structural and computational studies. The two isomers are hardly emissive in solution but become good emitters in blended PMMA films displaying almost overlapping fluorescence and phosphorescence. In solid-state, two additional lower energy phosphorescences are activated through the establishment of either π-π stacking or synergic π-π/hydrogen bond interactions. Stronger aggregated RTP features are observed in the pyridin-2-ylethynyl derivative which displays tighter π-π stacking interactions.
具有多组分发射行为特征的有机材料,包括RTP特征,在各种应用中都是非常理想的。通常,固体的长时间发射是由分子间相互作用产生的,其作用还远未完全了解。在这种情况下,具有相似分子性质但排列排列不同的位置异构体可以成为深入理解固态发射行为机制的有用工具。本文介绍了环三咪唑(TT)两种具有吡啶-2-基或4-基乙基官能团的衍生物,并通过光谱、结构和计算研究进行了解释。这两种异构体在溶液中几乎不发光,但在混合PMMA薄膜中表现出几乎重叠的荧光和磷光。在固态中,通过建立π-π堆叠或协同π-π/氢键相互作用,激活了两个额外的低能量磷光。吡啶-2-乙炔基衍生物具有更强的聚合RTP特征,表现出更紧密的π-π堆叠相互作用。
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引用次数: 0
3D graphene for ultra-high methane and hydrogen storage 用于超高甲烷和氢气储存的3D石墨烯
Pub Date : 2024-11-29 DOI: 10.1016/j.nxmate.2024.100438
Xuan Peng
The exceptional potential of three-dimensional (3D) graphene materials for ultra-high methane and hydrogen storage is explored in this study, utilizing the grand canonical Monte Carlo (GCMC) molecular simulation method. The 3D boron nitride (BN) graphene materials, synthesized through the substitution of boron and nitrogen for carbon atoms, exhibit superior adsorption capacities. At 298 K, the weight adsorption capacities of two BN materials for methane reach up to 1.134 g/g and 0.82 g/g, respectively, at 30 MPa, significantly exceeding the DOE target of 0.5 g/g. For hydrogen, remarkably, at 77 K and pressures exceeding 1 MPa, the weight adsorption capacity surpasses 5.5 wt%, achieving an impressive 27 wt% at 30 MPa, nearly quintupling the DOE’s hydrogen storage target. Although the volumetric adsorption capacity is lower compared to Metal-Organic Frameworks (MOFs), the 3D graphene materials’ weight adsorption performance positions them as strong contenders for next-generation energy storage solutions. The GCMC simulations substantiate the significance of 3D graphene materials as highly promising adsorbents for efficient methane and hydrogen storage.
本研究利用大正则蒙特卡罗(GCMC)分子模拟方法,探索了三维(3D)石墨烯材料在超高甲烷和氢储存方面的特殊潜力。通过硼和氮取代碳原子合成的三维氮化硼(BN)石墨烯材料具有优异的吸附能力。在298 K下,在30 MPa下,两种BN材料对甲烷的重量吸附量分别达到1.134 g/g和0.82 g/g,显著超过了DOE设定的0.5 g/g的目标。对于氢气,值得注意的是,在77 K和超过1 MPa的压力下,重量吸附容量超过5.5 wt%,在30 MPa下达到令人印象深刻的27 wt%,几乎是美国能源部氢气储存目标的五倍。尽管与金属有机框架(mof)相比,体积吸附能力较低,但3D石墨烯材料的重量吸附性能使其成为下一代储能解决方案的有力竞争者。GCMC模拟证实了3D石墨烯材料作为高效甲烷和氢气储存的极有前途的吸附剂的重要性。
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引用次数: 0
Effects of sputtering process and annealing on the microstructure, crystallization orientation and piezoelectric properties of ZnO films 溅射工艺和退火对ZnO薄膜微观结构、结晶取向和压电性能的影响
Pub Date : 2024-11-29 DOI: 10.1016/j.nxmate.2024.100429
Zhonghao Liu , Yuting Guo , Shang Li , Yanxiang Chen , Ke Deng , Hulin Liu , Shuren Guo , Xuanpu Dong , Huatang Cao
Ceramic piezoelectric films play a crucial role in sensors, acoustic wave devices, and micro-electromechanical systems (MEMS) due to their superior piezoelectric properties. This study focuses on optimizing ZnO piezoelectric films through radio frequency (RF) magnetron sputtering under a combination of varied deposition parameters such as tuning the target-substrate distance, sputtering power, and pressure effectively to control the atomic bombardment, collisions, and surface diffusion of sputtered particles, thereby influencing the surface morphology, grain size, thickness and chemical composition of the ZnO films. Furthermore, annealing heat treatment enhances the crystallization quality and piezoelectric properties of the ZnO films. Results show that annealing the films sputtered at a magnetron power of 50 W at 300 °C maximizes a favorable c-axis (002) orientation. Piezoelectric performance confirms that the annealed ZnO films exhibits enhanced piezoelectric amplitude, mechanical-electrical signal response, stable linear piezoelectric behavior, and a 180° phase flip under voltage excitation. This work is promising to lay a foundational solution for the development of advanced sensors with excellent piezoelectric properties.
陶瓷压电薄膜由于其优异的压电性能,在传感器、声波器件和微机电系统(MEMS)中发挥着至关重要的作用。本研究的重点是通过射频磁控溅射优化ZnO压电薄膜,在不同的沉积参数(如调整靶基距离、溅射功率和压力)的组合下,有效地控制溅射颗粒的原子轰击、碰撞和表面扩散,从而影响ZnO薄膜的表面形貌、晶粒尺寸、厚度和化学成分。退火热处理提高了ZnO薄膜的结晶质量和压电性能。结果表明,在50 W的磁控管功率下,在300℃下对溅射薄膜进行退火,使其具有良好的C轴(002)取向。压电性能证实,退火后的ZnO薄膜具有增强的压电振幅、机械-电信号响应、稳定的线性压电行为以及在电压激励下180°的相位翻转。这项工作有望为开发具有优异压电性能的先进传感器奠定基础。
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引用次数: 0
Tunable nonlinear optical properties in polyaniline-multiwalled carbon nanotube (PANI-MWCNT) system probed under pulsed Nd:YAG laser 脉冲Nd:YAG激光探测聚苯胺-多壁碳纳米管(PANI-MWCNT)体系的非线性光学特性
Pub Date : 2024-11-29 DOI: 10.1016/j.nxmate.2024.100431
Roshan Joseph Mathew , Arun R Chandran , Syam kishor K S , Lyjo K Joseph , K J Saji , U S Sajeev
The investigation of the nonlinear optical (NLO) properties of polyaniline (PANI) and polyaniline doped with multi-walled carbon nanotube (PANI-MWCNT) in both solution and film forms was conducted using the open-aperture z-scan approach. A Q-switched resonant Nd: YAG laser with a wavelength of 532 nm and two different fluences was utilized in this study. Based on the z-scan experiments, it was observed that the NLO behaviour of PANI and PANI-MWCNT composites exhibited a transition from reverse saturable absorption (RSA) to saturable absorption (SA) when the samples changed from a liquid to a film state. Two photon absorption (TPA) and thermally induced nonlinear scattering are the main mechanisms behind the RSA behaviour of the materials in solution form. The reason for SA behaviour of these materials in film form is attributed as the ground-state free electron bleaching in the conduction band due to the increased laser intensity. Due to increased structural disorder and the defect states or trap levels created by the dopants in the PANI system, the NLO properties of the PANI-MWCNT composite in both solution and film forms have significantly improved compared to those of pure PANI. Urbach tail analysis and carbon cluster determination revealed the presence of defect states in the composites system. The composite of PANI and MWCNT was verified using Fourier transform infrared (FTIR) spectroscopy. The functional elements present in the composites are verified by X-ray photoelectron spectroscopy. The NLO parameters of the samples, viz., the nonlinear absorption coefficient (β), the imaginary part of the nonlinear susceptibility χi(3) , and the figure of merit (FOM) of PANI-MWCNT, exhibited a notable enhancement in their values over PANI. Moreover, the PANI-MWCNT film demonstrated superior SA performance and the PANI-MWCNT solution demonstrated better OL performance compared to that of the PANI film and solution respectively. Also the effects of dopant induced structural modifications and lattice disorder on the NLO behaviour of these materials are correlated with the obtained NLO parameters. The tunable NLO properties accomplished by controlling the structural phase and dopant-induced defects enhance the possibility of these nanostructures for applications in optical limiting, optical switching, optical modulation, optical pulse compression and laser pulse narrowing.
采用开孔z扫描方法研究了聚苯胺(PANI)和聚苯胺掺杂多壁碳纳米管(PANI- mwcnt)在溶液和薄膜形式下的非线性光学(NLO)性质。本研究采用波长为532 nm的调q谐振Nd: YAG激光器,采用两种不同的影响。通过z扫描实验发现,当样品由液态变为薄膜态时,聚苯胺和聚苯胺- mwcnt复合材料的NLO行为发生了从反饱和吸收(RSA)到饱和吸收(SA)的转变。双光子吸收(TPA)和热致非线性散射是溶液形式下材料的RSA行为背后的主要机制。这些材料在薄膜形式下的SA行为的原因是由于激光强度的增加导致基态自由电子在导带中漂白。由于PANI体系中掺杂物增加了结构紊乱和缺陷状态或陷阱水平,与纯PANI相比,PANI- mwcnt复合材料在溶液和薄膜形式下的NLO性能都得到了显著改善。乌尔巴赫尾分析和碳簇测定揭示了复合材料体系中存在缺陷态。利用傅里叶变换红外光谱(FTIR)对聚苯胺与MWCNT的复合材料进行了验证。用x射线光电子能谱对复合材料中的功能元素进行了验证。样品的NLO参数,即非线性吸收系数(β),非线性磁化率的虚部χi(3),以及PANI- mwcnt的优值(FOM)的值都比PANI有显著的提高。此外,与PANI膜和溶液相比,PANI- mwcnt膜表现出更优异的SA性能,PANI- mwcnt溶液表现出更好的OL性能。此外,掺杂引起的结构修饰和晶格无序对这些材料的NLO行为的影响与得到的NLO参数相关。通过控制结构相位和掺杂剂诱导缺陷实现的可调谐NLO特性增强了这些纳米结构在光限制、光开关、光调制、光脉冲压缩和激光脉冲狭窄等方面应用的可能性。
{"title":"Tunable nonlinear optical properties in polyaniline-multiwalled carbon nanotube (PANI-MWCNT) system probed under pulsed Nd:YAG laser","authors":"Roshan Joseph Mathew ,&nbsp;Arun R Chandran ,&nbsp;Syam kishor K S ,&nbsp;Lyjo K Joseph ,&nbsp;K J Saji ,&nbsp;U S Sajeev","doi":"10.1016/j.nxmate.2024.100431","DOIUrl":"10.1016/j.nxmate.2024.100431","url":null,"abstract":"<div><div>The investigation of the nonlinear optical (NLO) properties of polyaniline (PANI) and polyaniline doped with multi-walled carbon nanotube (PANI-MWCNT) in both solution and film forms was conducted using the open-aperture z-scan approach. A Q-switched resonant Nd: YAG laser with a wavelength of 532 nm and two different fluences was utilized in this study. Based on the z-scan experiments, it was observed that the NLO behaviour of PANI and PANI-MWCNT composites exhibited a transition from reverse saturable absorption (RSA) to saturable absorption (SA) when the samples changed from a liquid to a film state. Two photon absorption (TPA) and thermally induced nonlinear scattering are the main mechanisms behind the RSA behaviour of the materials in solution form. The reason for SA behaviour of these materials in film form is attributed as the ground-state free electron bleaching in the conduction band due to the increased laser intensity. Due to increased structural disorder and the defect states or trap levels created by the dopants in the PANI system, the NLO properties of the PANI-MWCNT composite in both solution and film forms have significantly improved compared to those of pure PANI. Urbach tail analysis and carbon cluster determination revealed the presence of defect states in the composites system. The composite of PANI and MWCNT was verified using Fourier transform infrared (FTIR) spectroscopy. The functional elements present in the composites are verified by X-ray photoelectron spectroscopy. The NLO parameters of the samples, viz., the nonlinear absorption coefficient (β), the imaginary part of the nonlinear susceptibility <span><math><msubsup><mrow><mi>χ</mi></mrow><mrow><mi>i</mi></mrow><mrow><mo>(</mo><mn>3</mn><mo>)</mo></mrow></msubsup></math></span> , and the figure of merit (FOM) of PANI-MWCNT, exhibited a notable enhancement in their values over PANI. Moreover, the PANI-MWCNT film demonstrated superior SA performance and the PANI-MWCNT solution demonstrated better OL performance compared to that of the PANI film and solution respectively. Also the effects of dopant induced structural modifications and lattice disorder on the NLO behaviour of these materials are correlated with the obtained NLO parameters. The tunable NLO properties accomplished by controlling the structural phase and dopant-induced defects enhance the possibility of these nanostructures for applications in optical limiting, optical switching, optical modulation, optical pulse compression and laser pulse narrowing.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"6 ","pages":"Article 100431"},"PeriodicalIF":0.0,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Liquid-phase deposition of α-Fe2O3/n-Si heterojunction thin film photoanode for water splitting 液相沉积α-Fe2O3/n-Si异质结薄膜光阳极用于水分解
Pub Date : 2024-11-29 DOI: 10.1016/j.nxmate.2024.100437
Tomah Sogabe , Hiroshi Ono , Katsuyoshi Sakamoto , Soga Taima , Yoshitaka Okada
The Liquid-phase deposition (LPD) method stands out as one of the most cost-effective techniques for fabricating thin films, due to its simple equipment requirements, low operational costs, and easy scalability while maintaining excellent film quality. In this work, we successfully demonstrate for the first time the synthesis of a heterojunction thin-film photoanode of hematite (α-Fe2O3) on an n-type silicon (n-Si) substrate using LPD. The α-Fe2O3/n-Si heterojunction photoanodes fabricated by LPD exhibited superior photocurrent responses for water splitting, with greater light absorption and enhanced performance compared to photoanodes prepared on fluorine-doped tin oxide (FTO) glass substrates, indicating the high quality of the heterojunction interface. The LPD-fabricated heterojunctions showed an early onset of photocurrent at lower applied potentials compared to Pt-based metal electrodes, demonstrating a reduction in overpotential voltage of 0.3 V. Overall, the LPD method shows promising potential for fabricating high-quality α-Fe2O3/n-Si thin films, with potential applications toward unassisted water splitting, offering an efficient and sustainable approach for green hydrogen production.
液相沉积(LPD)方法因其设备要求简单,操作成本低,易于扩展,同时保持优异的薄膜质量而成为制造薄膜的最具成本效益的技术之一。在这项工作中,我们首次成功地展示了利用LPD在n型硅(n-Si)衬底上合成赤铁矿(α-Fe2O3)异质结薄膜光阳极。LPD制备的α-Fe2O3/n-Si异质结光阳极对水分解的光电流响应优于氟掺杂氧化锡(FTO)玻璃基板制备的光阳极,具有更强的光吸收和更高的性能,表明异质结界面质量高。与基于pt的金属电极相比,lpd制造的异质结在较低的施加电位下显示出较早的光电流,并显示出过电位降低了0.3 V。总的来说,LPD方法在制备高质量α-Fe2O3/n-Si薄膜方面具有很大的潜力,在无辅助水分解方面具有潜在的应用前景,为绿色制氢提供了一种高效和可持续的方法。
{"title":"Liquid-phase deposition of α-Fe2O3/n-Si heterojunction thin film photoanode for water splitting","authors":"Tomah Sogabe ,&nbsp;Hiroshi Ono ,&nbsp;Katsuyoshi Sakamoto ,&nbsp;Soga Taima ,&nbsp;Yoshitaka Okada","doi":"10.1016/j.nxmate.2024.100437","DOIUrl":"10.1016/j.nxmate.2024.100437","url":null,"abstract":"<div><div>The Liquid-phase deposition (LPD) method stands out as one of the most cost-effective techniques for fabricating thin films, due to its simple equipment requirements, low operational costs, and easy scalability while maintaining excellent film quality. In this work, we successfully demonstrate for the first time the synthesis of a heterojunction thin-film photoanode of hematite (<span><math><mrow><mi>α</mi><mi>-</mi><msub><mrow><mi>Fe</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow></msub></mrow></math></span>) on an n-type silicon <span><math><mrow><mo>(</mo><mi>n</mi><mi>-</mi><mi>Si</mi><mo>)</mo></mrow></math></span> substrate using LPD. The <span><math><mrow><mi>α</mi><mi>-</mi><msub><mrow><mi>Fe</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow></msub><mo>/</mo><mi>n</mi><mi>-</mi><mi>Si</mi></mrow></math></span> heterojunction photoanodes fabricated by LPD exhibited superior photocurrent responses for water splitting, with greater light absorption and enhanced performance compared to photoanodes prepared on fluorine-doped tin oxide (FTO) glass substrates, indicating the high quality of the heterojunction interface. The LPD-fabricated heterojunctions showed an early onset of photocurrent at lower applied potentials compared to Pt-based metal electrodes, demonstrating a reduction in overpotential voltage of 0.3 V. Overall, the LPD method shows promising potential for fabricating high-quality <span><math><mrow><mi>α</mi><mi>-</mi><msub><mrow><mi>Fe</mi></mrow><mrow><mn>2</mn></mrow></msub><msub><mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow></msub><mo>/</mo><mi>n</mi><mi>-</mi><mi>Si</mi></mrow></math></span> thin films, with potential applications toward unassisted water splitting, offering an efficient and sustainable approach for green hydrogen production.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"6 ","pages":"Article 100437"},"PeriodicalIF":0.0,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A comprehensive review of recent advances in graphene, microswimmers, and microfluidics 全面回顾了石墨烯、微游泳和微流体的最新进展
Pub Date : 2024-11-28 DOI: 10.1016/j.nxmate.2024.100435
Roopsandeep Bammidi , Hymavathi Madivada , Sreeramulu Dowluru
The pace of research discoveries depends heavily on the substances employed and micro technologies. However, fascination with graphene and similar two-dimensional materials is growing due to the anticipated significant benefits in terms of both performance enhancement and atomic-scale growth. The prospects for integrating graphene, microswimmers, and microfluidic systems have become more apparent with the advent of new biomedical applications. With excellent mechanical characteristics, electrical and thermal conductivity, and biocompatibility, the material has the potential to revolutionize the delivery of next-generation innovative biomedical devices. This article investigates how these various systems might be coupled in novel ways, for as by imbuing microswimmers with graphene characteristics and using their mobility and the regulated fluidic conditions of microfluidics to achieve new therapeutic and diagnostic goals. Such applications include targeted drug delivery, non-invasive diagnosis, and environmental monitoring, in which the buoyancy of the microswimmer aids in relatively good movement with the fluidic media, aided by the microchannel structure and the microswimmer, which moves precisely through several micro channels. We delve into the challenges, opportunities, and the role of graphene in shaping biological domains relevant to the development of microswimmers and microfluidics. Through this exploration, we aim to uncover pathways for further innovation in biomedical research and application.Top of Form
研究发现的速度在很大程度上取决于所使用的物质和微技术。然而,对石墨烯和类似二维材料的迷恋正在增长,因为在性能增强和原子尺度增长方面预期的显着好处。随着新的生物医学应用的出现,集成石墨烯、微游泳和微流体系统的前景变得更加明显。该材料具有优异的机械特性、导电性和导热性以及生物相容性,有可能彻底改变下一代创新生物医学设备的交付。本文研究了这些不同的系统如何以新的方式耦合,例如通过向微游泳者注入石墨烯特性,并利用其流动性和微流体的调节流体条件来实现新的治疗和诊断目标。这些应用包括靶向药物输送、非侵入性诊断和环境监测,在这些应用中,微游动器的浮力在微通道结构和微游动器的帮助下,有助于流体介质的相对良好的运动,微游动器精确地通过几个微通道移动。我们深入研究了石墨烯在塑造与微游泳和微流体发展相关的生物领域中的挑战、机遇和作用。通过这一探索,我们的目标是发现生物医学研究和应用的进一步创新途径。表格顶部
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引用次数: 0
Conductive hydrogel based on dual-network structure with high toughness, adhesion, self-healing and anti-freezing for flexible strain sensor 基于双网络结构的导电水凝胶,具有高韧性、粘附性、自愈性和抗冻性,用于柔性应变传感器
Pub Date : 2024-11-28 DOI: 10.1016/j.nxmate.2024.100436
Ya Wen , Ling Yi Zeng , Xin Chun Wang, Hong Mei Chen, Xiu Chen Li, Hai Liang Ni, Wen Hao Yu, Yue Feng Bai, Ping Hu
The development of multi-functional hydrogels is necessary to meet the needs of flexible sensors in different application scenarios. A conductive hydrogel with high toughness, adhesion, self-healing and anti-freezing properties was prepared. The hydrogel was synthesized by in-situ polymerization of acrylic acid in glycerol hydrate solution system of gelatin and aluminum ion, and then cryogenically refrigerated. After low temperature treatment, the triple helix structure produced by the self-assembly of the gelatin in the hydrogel increases the cross-linking density of the hydrogel, and forms a double network with polyacrylic acid to improve its mechanical properties (stress up to 85.7 kPa, strain up to 1428 %). In addition, this triple helix structure can dissociate and recombine at different temperatures, and interact with other dynamic bonds (hydrogen bonds, Al3+ coordination) in the system, so that the hydrogel has excellent self-healing ability (healing rate up to 86.8 %). Because the system contains a large number of -OH, -NH2 and -COOH groups, it can adhere to the surface of various materials through hydrogen bonding. The free Al3+ makes the hydrogel obtain good electrical conductivity and strain sensitivity (GF=3.01), and the strain sensor assembled by it has a stable and accurate monitoring effect on the fine movements of human body such as various joint movements and pronunciation. Additionally, the presence of glycerol provides anti-freezing properties, ensuring flexibility and electrical conductivity even at low temperatures (-20 C). This hydrogel is a promising candidate for intelligent wearable devices in extreme environments such as snow and ice sports.
多功能水凝胶的开发是满足柔性传感器在不同应用场景下需求的必要条件。制备了一种具有高韧性、粘接、自愈和防冻性能的导电水凝胶。将丙烯酸在明胶和铝离子的水合甘油溶液体系中原位聚合合成水凝胶,然后进行低温冷藏。经低温处理后,明胶在水凝胶中自组装产生的三螺旋结构增加了水凝胶的交联密度,与聚丙烯酸形成双网,提高了水凝胶的力学性能(应力可达85.7 kPa,应变可达1428 %)。此外,这种三螺旋结构可以在不同温度下解离和重组,并与体系中的其他动态键(氢键、Al3+配位)相互作用,使水凝胶具有优异的自愈能力(自愈率高达86.8% %)。由于该体系含有大量的-OH、-NH2和-COOH基团,可以通过氢键附着在各种材料表面。游离的Al3+使水凝胶具有良好的导电性和应变灵敏度(GF=3.01),其组装的应变传感器对人体各种关节运动、发音等精细运动具有稳定、准确的监测效果。此外,甘油的存在提供了防冻性能,确保灵活性和导电性,即使在低温(-20◦C)。这种水凝胶是冰雪运动等极端环境下智能可穿戴设备的理想选择。
{"title":"Conductive hydrogel based on dual-network structure with high toughness, adhesion, self-healing and anti-freezing for flexible strain sensor","authors":"Ya Wen ,&nbsp;Ling Yi Zeng ,&nbsp;Xin Chun Wang,&nbsp;Hong Mei Chen,&nbsp;Xiu Chen Li,&nbsp;Hai Liang Ni,&nbsp;Wen Hao Yu,&nbsp;Yue Feng Bai,&nbsp;Ping Hu","doi":"10.1016/j.nxmate.2024.100436","DOIUrl":"10.1016/j.nxmate.2024.100436","url":null,"abstract":"<div><div>The development of multi-functional hydrogels is necessary to meet the needs of flexible sensors in different application scenarios. A conductive hydrogel with high toughness, adhesion, self-healing and anti-freezing properties was prepared. The hydrogel was synthesized by in-situ polymerization of acrylic acid in glycerol hydrate solution system of gelatin and aluminum ion, and then cryogenically refrigerated. After low temperature treatment, the triple helix structure produced by the self-assembly of the gelatin in the hydrogel increases the cross-linking density of the hydrogel, and forms a double network with polyacrylic acid to improve its mechanical properties (stress up to 85.7 kPa, strain up to 1428 %). In addition, this triple helix structure can dissociate and recombine at different temperatures, and interact with other dynamic bonds (hydrogen bonds, Al<sup>3+</sup> coordination) in the system, so that the hydrogel has excellent self-healing ability (healing rate up to 86.8 %). Because the system contains a large number of -OH, -NH<sub>2</sub> and -COOH groups, it can adhere to the surface of various materials through hydrogen bonding. The free Al<sup>3+</sup> makes the hydrogel obtain good electrical conductivity and strain sensitivity (GF=3.01), and the strain sensor assembled by it has a stable and accurate monitoring effect on the fine movements of human body such as various joint movements and pronunciation. Additionally, the presence of glycerol provides anti-freezing properties, ensuring flexibility and electrical conductivity even at low temperatures (-20 <sup>◦</sup>C). This hydrogel is a promising candidate for intelligent wearable devices in extreme environments such as snow and ice sports.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"6 ","pages":"Article 100436"},"PeriodicalIF":0.0,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ti2PTe2 chalcogenide: A comprehensive DFT study on physical properties Ti2PTe2 Chalcogenide:关于物理性质的全面 DFT 研究
Pub Date : 2024-11-27 DOI: 10.1016/j.nxmate.2024.100434
M.H. Mia , Mst.A. Khatun , M. Rahman
We have investigated the structural, mechanical, lattice dynamics, electronic, optical and thermal properties of Ti2PTe2 chalcogenide using density functional theory for the first time. The optimized unit cell parameters show excellent agreement with experimental values. The stability of Ti2PTe2 is confirmed by thermodynamic, mechanical, and dynamical stability criteria. The material exhibits softness, machinability, and brittleness, making it suitable for applications requiring ease of fabrication and damage tolerance. The compound is elastically and optically anisotropic. Its electronic properties reveal a metallic nature, characterized by a mix of covalent, ionic, and metallic bonding. Its ultra-low thermal conductivity suggests Ti2PTe2 is a promising candidate for thermal barrier coatings (TBCs). Additionally, its strong UV absorption makes it useful for UV detectors, anti-reflective coatings, and protection against photo-disintegration. With a high static refractive index and impressive reflectivity, Ti2PTe2 also holds potential for advanced display technologies and solar heating reduction. We believe this study will inspire further research, expanding the material’s application potential beyond traditional boundaries.
我们首次利用密度泛函理论研究了 Ti2PTe2 瑀的结构、力学、晶格动力学、电子、光学和热学特性。优化后的单胞参数与实验值非常吻合。热力学、力学和动力学稳定性标准证实了 Ti2PTe2 的稳定性。这种材料具有柔软性、可加工性和脆性,因此适用于要求易于制造和耐损伤的应用领域。这种化合物具有弹性和光学各向异性。其电子特性显示出金属性质,共价键、离子键和金属键混合在一起。其超低的热导率表明,Ti2PTe2 是热障涂层 (TBC) 的理想候选材料。此外,它还具有很强的紫外线吸收能力,可用于紫外线探测器、防反射涂层和光分解保护。Ti2PTe2 具有较高的静态折射率和令人印象深刻的反射率,在先进的显示技术和减少太阳能加热方面也具有潜力。我们相信,这项研究将激发进一步的研究,拓展材料的应用潜力,超越传统界限。
{"title":"Ti2PTe2 chalcogenide: A comprehensive DFT study on physical properties","authors":"M.H. Mia ,&nbsp;Mst.A. Khatun ,&nbsp;M. Rahman","doi":"10.1016/j.nxmate.2024.100434","DOIUrl":"10.1016/j.nxmate.2024.100434","url":null,"abstract":"<div><div>We have investigated the structural, mechanical, lattice dynamics, electronic, optical and thermal properties of Ti<sub>2</sub>PTe<sub>2</sub> chalcogenide using density functional theory for the first time. The optimized unit cell parameters show excellent agreement with experimental values. The stability of Ti<sub>2</sub>PTe<sub>2</sub> is confirmed by thermodynamic, mechanical, and dynamical stability criteria. The material exhibits softness, machinability, and brittleness, making it suitable for applications requiring ease of fabrication and damage tolerance. The compound is elastically and optically anisotropic. Its electronic properties reveal a metallic nature, characterized by a mix of covalent, ionic, and metallic bonding. Its ultra-low thermal conductivity suggests Ti<sub>2</sub>PTe<sub>2</sub> is a promising candidate for thermal barrier coatings (TBCs). Additionally, its strong UV absorption makes it useful for UV detectors, anti-reflective coatings, and protection against photo-disintegration. With a high static refractive index and impressive reflectivity, Ti<sub>2</sub>PTe<sub>2</sub> also holds potential for advanced display technologies and solar heating reduction. We believe this study will inspire further research, expanding the material’s application potential beyond traditional boundaries.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"7 ","pages":"Article 100434"},"PeriodicalIF":0.0,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Developing a dual-mode confined layer slip model for Al/Mg composites with incoherent FCC/HCP interfaces: Insights from molecular dynamics studies 为具有不连贯 FCC/HCP 界面的铝/镁复合材料开发双模约束层滑移模型:分子动力学研究的启示
Pub Date : 2024-11-25 DOI: 10.1016/j.nxmate.2024.100433
Zhou Li , Tong Shen , Junhao Li , Shiqi Xia , Long Yu , Che Zhang
The classic Hall-Petch model effectively captures the relationship between strength and layer thickness for thicknesses above 100 nm, while the constrained layer slip (CLS) model provides a better prediction for thicknesses below 100 nm. Nonetheless, the precision of the current CLS model is insufficient, especially for structures with FCC/HCP interfaces, which limits the development of lightweight composites such as Al/Mg. To address this gap, this study uses molecular dynamics (MD) simulations to explore the CLS mechanism under compression in Al/Mg composites. We propose a novel dual-mode CLS model aimed at enhancing the accuracy of stress predictions across a wide range of layer thicknesses and various slip angles. Our findings indicate that with decreasing layer thickness and the loss of lattice structure, the FCC/HCP interface becomes unstable and exhibits reduced strength when the layer thickness falls below 26.7 nm. Moreover, as the slip angle rises from 0° to 75°, the improved interface compatibility aids in the initiation of basal slip in the Mg layer. This triggers a migration of dislocations from the Al side to the Mg side, thereby altering the dominant CLS mechanism. This work is expected to accelerate the development of Al/Mg composites and other similar FCC/HCP composite systems.
经典的霍尔-佩奇(Hall-Petch)模型能有效捕捉厚度超过 100 纳米时强度与层厚度之间的关系,而受约束层滑移(CLS)模型则能更好地预测厚度低于 100 纳米时的强度。然而,目前的 CLS 模型精度不够,特别是对于具有 FCC/HCP 界面的结构,这限制了铝/镁等轻质复合材料的发展。为了弥补这一不足,本研究采用分子动力学 (MD) 模拟来探索铝/镁复合材料在压缩条件下的 CLS 机理。我们提出了一种新颖的双模式 CLS 模型,旨在提高各种层厚度和各种滑移角下的应力预测精度。我们的研究结果表明,随着层厚度的减小和晶格结构的丧失,当层厚度低于 26.7 nm 时,FCC/HCP 界面变得不稳定并表现出强度降低。此外,当滑移角从 0° 上升到 75° 时,界面兼容性的改善有助于镁层基底滑移的启动。这引发了位错从铝侧迁移到镁侧,从而改变了主要的 CLS 机制。这项研究有望加速铝/镁复合材料和其他类似的催化裂化/氢氯化物复合材料系统的开发。
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