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Preparation and 3D network structure optimization of SiC and SiC@Fe3Si nanofibers for enhanced electromagnetic wave absorption SiC和SiC@Fe3Si纳米纤维增强电磁波吸收的制备及三维网络结构优化
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-27 DOI: 10.1016/j.mtnano.2025.100644
Dandan Xiang , Qinchuan He , Congmin Fan , Yiqun Wang , Xuemin Yin , Changcong Wang
{"title":"Preparation and 3D network structure optimization of SiC and SiC@Fe3Si nanofibers for enhanced electromagnetic wave absorption","authors":"Dandan Xiang ,&nbsp;Qinchuan He ,&nbsp;Congmin Fan ,&nbsp;Yiqun Wang ,&nbsp;Xuemin Yin ,&nbsp;Changcong Wang","doi":"10.1016/j.mtnano.2025.100644","DOIUrl":"10.1016/j.mtnano.2025.100644","url":null,"abstract":"<div><div>The Electromagnetic wave absorbing materials (EWAM) prepared by coupling magnetic elements with SiC nanofibers have excellent comprehensive characteristics, including ample network free spaces, numerous interfacial polarization sites and enhanced dielectric dissipation capacity, exhibiting critical potential for 5G communication systems and artificial intelligence applications. Based on the design of three-dimensional (3D) network structure, nanofiber precursors were prepared by electrostatic spinning, and then SiC nanofibers and SiC@Fe<sub>3</sub>Si composite nanofibers were synthesized by combination with carbothermal reduction reaction. The effective absorption bandwidth of SiC nanofibers reaches up to 6.16 GHz and the minimum reflection loss (RL<sub>min</sub>) is −66.07 dB. After the introduction of magnetic components, the RL<sub>min</sub> of SiC@Fe<sub>3</sub>Si composite nanofibers (SC3-F) is increased to −73.75 dB. Scanning electron microscopy and electromagnetic parameters demonstrate the synergistic mechanism of interfacial/dipole polarization and magnetic coupling, revealing its important contribution to multiple reflections and impedance matching. In addition, further theoretical evaluations of the different domains were carried out through CST analog simulations, illustrating the effect of the materials on radar stealth. This study provides new ideas for the design of new-generation high-performance EWAM materials and lays the foundation for their extensive development in multifunctional applications.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100644"},"PeriodicalIF":8.2,"publicationDate":"2025-05-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Effectiveness of carbon nanomaterials as lubricant additives: Recent review 碳纳米材料作为润滑油添加剂的有效性研究进展
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-26 DOI: 10.1016/j.mtnano.2025.100643
Anthony Chukwunonso Opia , Mohd Fadzli Bin Abdollah , Samion Syahrullail , Hilmi Amiruddin , Chinedu Stanley Mamah , Ibham Veza
{"title":"Effectiveness of carbon nanomaterials as lubricant additives: Recent review","authors":"Anthony Chukwunonso Opia ,&nbsp;Mohd Fadzli Bin Abdollah ,&nbsp;Samion Syahrullail ,&nbsp;Hilmi Amiruddin ,&nbsp;Chinedu Stanley Mamah ,&nbsp;Ibham Veza","doi":"10.1016/j.mtnano.2025.100643","DOIUrl":"10.1016/j.mtnano.2025.100643","url":null,"abstract":"<div><div>Wear and friction are unavoidable in mechanical motion, leading to energy loss, low productivity, damage to machine parts, and high operating costs; therefore, the use of appropriate lubricants is essential. To solve these unwanted conditions and protect the environment, lubricants containing nano-additives could effectively perform the operations. As a result, it is imperative to understand the effectiveness trajectory of various kinds of carbon nanomaterials towards enhancing lubricating performance. Therefore, this review paper compiles the advancement and contributions of carbon nanomaterials to tribology in recent years. The development of different carbon nanotubes and nanoparticles was investigated, and studies conducted between 2010 and 2024 showed notable improvements over time. The review identified the potential influencing factors that impact the tribological responsiveness of carbon nanomaterials, including the nano-additives' dispersion in lubricants, effects of their microstructure and particle sizes. This paper provides a summary of the accomplishments of graphene, fullerene, carbon nanotubes, carbon nanodiamonds, carbon nano-onions and carbon spheres in their application as lubricant additives. A thorough analysis of graphene and carbon nanotubes on their exceptional lubricant additives was conducted. According to reports in the literature, graphene is the most well-known and extensively utilized carbon nanomaterial for exceptional tribological qualities. Significant decreases in wear and friction are facilitated by its capacity to smooth surfaces, create protective layers, and act as a third-body lubricant. To fully utilize graphene's potential in a variety of tribological applications, further research into functionalization and dispersion processes is essential thus providing insight into their synthesis and design.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100643"},"PeriodicalIF":8.2,"publicationDate":"2025-05-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
New horizons for electromagnetism of functional bionanomaterials 功能性生物纳米材料的电磁学研究新进展
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-25 DOI: 10.1016/j.mtnano.2025.100640
C. Brosseau
{"title":"New horizons for electromagnetism of functional bionanomaterials","authors":"C. Brosseau","doi":"10.1016/j.mtnano.2025.100640","DOIUrl":"10.1016/j.mtnano.2025.100640","url":null,"abstract":"<div><div>Electro-mechano-biology (EMB) develops and examines different uses of electric excitation that span the electromagnetic spectrum from dc to microwaves to study and control mechanical deformation of cells, focusing on the discovery and application of new phenomena. In this work, we highlight this approach and its limitations to understand the cross-properties between electrical and mechanical modeling of functional biomaterials. Several illustrations based on multiphysics multiscale finite element simulations are proposed. Collectively, these data have important phenomenological implications for modeling the electromechanical effects of cell and nucleus morphology in a confined geometry. We discuss the current challenges for future developments in the analysis of electromagnetism of functional bionanomaterials.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100640"},"PeriodicalIF":8.2,"publicationDate":"2025-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Plasma-irradiated hafnia ferroelectrics for high-performance flexible thin film transistors 用于高性能柔性薄膜晶体管的等离子体辐照半铁电体
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-23 DOI: 10.1016/j.mtnano.2025.100639
Hyun Yeol Rho , Arindam Bala , Anamika Sen , Uisik Jeong , Jimin Kim , Pavan Pujar , Sunkook Kim
{"title":"Plasma-irradiated hafnia ferroelectrics for high-performance flexible thin film transistors","authors":"Hyun Yeol Rho ,&nbsp;Arindam Bala ,&nbsp;Anamika Sen ,&nbsp;Uisik Jeong ,&nbsp;Jimin Kim ,&nbsp;Pavan Pujar ,&nbsp;Sunkook Kim","doi":"10.1016/j.mtnano.2025.100639","DOIUrl":"10.1016/j.mtnano.2025.100639","url":null,"abstract":"<div><div>Integrating unconventional HfO<sub>2</sub>-based ferroelectrics in thin film transistors (TFTs) has proven effective in enhancing performance by stabilizing negative capacitance (NC). This is achieved by incorporating the ferroelectric in series with a high-permittivity dielectric as a passive TFT component. However, implementing this on flexible, temperature-sensitive substrates presents significant challenges. The primary focus in TFTs on flexible substrates is their fabrication with a considerably low thermal budget to avoid damaging the underlying substrate. Herein, we introduce an approach to stabilize the desired ferroelectric polar phase of hafnium zirconium oxide (Hf<sub>0.5</sub>Zr<sub>0.5</sub>O<sub>2</sub>, HZO) through superficial plasma treatment in the argon environment. Plasma energizes Ar<sup>+</sup> ions, whose bombardment induces oxygen vacancies, thereby stabilizing the desired orthorhombic phase at low temperatures. The IGZO-channel TFTs incorporating HZO/HfO<sub>2</sub> passive stacks exhibit a substantial enhancement in subthreshold swing (SS), achieving a 72 % reduction from 147 mV/dec to 41 mV/dec, along with a notable increase in on-state currents (<em>I</em><sub>on</sub>) compared to conventional TFTs utilizing only HfO<sub>2</sub> dielectrics. The field-effect mobility (μ) significantly improves from 5.7 ± 0.2 to 28.8 ± 6.2 cm<sup>2</sup>/V·s. Flexible TFTs fabricated on polyimide substrates also show excellent mechanical stability, maintaining consistent <em>I</em><sub>on</sub> even after 10,000 bending cycles. Moreover, these TFTs exhibit enhanced μ of 72 ± 13.5 cm<sup>2</sup>/V·s in the flat state and 33.9 ± 3.8 cm<sup>2</sup>/V·s under bending—both notably higher than those of TFTs without the HZO-assisted NC effect.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100639"},"PeriodicalIF":8.2,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144170447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
In-situ CVD grown WS2-MoS2 lateral heterostructure with alloyed Interface: Strong photoluminescence enhancement and high on-off ratio field effect transistors 原位CVD生长具有合金界面的WS2-MoS2横向异质结构:强光致发光增强和高开关比场效应晶体管
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-22 DOI: 10.1016/j.mtnano.2025.100638
Abdul Kaium Mia , Sourav Dey , Lubomir Vanco , Viliam Vretenar , P.K. Giri
{"title":"In-situ CVD grown WS2-MoS2 lateral heterostructure with alloyed Interface: Strong photoluminescence enhancement and high on-off ratio field effect transistors","authors":"Abdul Kaium Mia ,&nbsp;Sourav Dey ,&nbsp;Lubomir Vanco ,&nbsp;Viliam Vretenar ,&nbsp;P.K. Giri","doi":"10.1016/j.mtnano.2025.100638","DOIUrl":"10.1016/j.mtnano.2025.100638","url":null,"abstract":"<div><div>The semiconducting 2D transition metal dichalcogenides (TMDs) have gained substantial attention, though the progress in their lateral heterostructures (HS) and in-situ growth for electronic and optoelectronic applications has been very limited. Herein, we report a single-step in-situ chemical vapor deposition growth of bilayer WS<sub>2</sub>-MoS<sub>2</sub> lateral HS, which ensures a clean diffused interface between WS<sub>2</sub> and MoS<sub>2,</sub> enabling efficient charge transport. The spatial Raman, photoluminescent (PL), and Auger mapping of in-situ WS<sub>2</sub>-MoS<sub>2</sub> lateral HS shows a clear transition from pure WS<sub>2</sub> to pure MoS<sub>2</sub> region through a graded WS<sub>(1-x)</sub>Mo<sub>x</sub>S<sub>2</sub> alloy interface. The composition and the width of the alloy interface could be tuned by careful choice of the proportion of precursor materials and by tuning the growth parameters. Spatially resolved PL spectra and PL mapping reveal a strongly enhanced (more than one order of magnitude) PL intensity in the HS interface attributed to the strain-induced bandstructure modification in the alloyed interface. Interestingly, the alloyed interface in the lateral HS also dramatically improves the electronic properties, resulting in an on-off ratio of 10<sup>8</sup> in the fabricated field effect transistor, which is two orders of magnitude higher than their individual counterpart. These results on lateral HS are significant, and they pave the way to synthesize other different HSs for future electronic devices and integrated circuits.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"31 ","pages":"Article 100638"},"PeriodicalIF":8.2,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144170448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Microstructure evolution and stability of directionally solidified superalloys with varying γ′ phase forming elements 不同γ′相形成元素定向凝固高温合金的组织演变与稳定性
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-15 DOI: 10.1016/j.mtnano.2025.100637
Yunpeng Fan , Xinbao Zhao , Lijie Qiao , Yang Song , Yu Zhou , Yuan Cheng , Shuli Zeng , Quanzhao Yue , Wanshun Xia , Yuefeng Gu , Ze Zhang
{"title":"Microstructure evolution and stability of directionally solidified superalloys with varying γ′ phase forming elements","authors":"Yunpeng Fan ,&nbsp;Xinbao Zhao ,&nbsp;Lijie Qiao ,&nbsp;Yang Song ,&nbsp;Yu Zhou ,&nbsp;Yuan Cheng ,&nbsp;Shuli Zeng ,&nbsp;Quanzhao Yue ,&nbsp;Wanshun Xia ,&nbsp;Yuefeng Gu ,&nbsp;Ze Zhang","doi":"10.1016/j.mtnano.2025.100637","DOIUrl":"10.1016/j.mtnano.2025.100637","url":null,"abstract":"<div><div>The microstructure evolution and stability of the directionally solidified superalloys with various contents of γ′ phase forming elements were investigated. The increase of mass fraction of γ′ phase forming elements from Al: 5 %, Ti: 1 % to Al: 6 %, Ti:2 % dramatically increased the area fraction of eutectic and the inhomogeneity. However, the segregation ratio decreased with the increase of γ′ phase forming elements, owing to the discharge of W and Mo. After heat treatments, the addition of γ′ phase forming elements led to the formation of a four-layer layered structure, and the inhomogeneity could not be eliminated. The increased contents of γ′ phase forming elements were detrimental to the structural stability, promoted the coarsening of the γ′ phase, and increased the mismatch stress between the two phases in the dendrite.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100637"},"PeriodicalIF":8.2,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144106692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 whispering gallery modes in MoSe2/WS2 double heterostructure nanocavities: Towards developing all-TMDC light sources MoSe2/WS2双异质结构纳米腔的工程窃窃廊模式:面向全tmdc光源的开发
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-14 DOI: 10.1016/j.mtnano.2025.100633
P.A. Alekseev , I.A. Milekhin , K.A. Gasnikova , I.A. Eliseyev , V. Yu. Davydov , A.A. Bogdanov , V. Kravtsov , A.O. Mikhin , B.R. Borodin , A.G. Milekhin
{"title":"Engineering whispering gallery modes in MoSe2/WS2 double heterostructure nanocavities: Towards developing all-TMDC light sources","authors":"P.A. Alekseev ,&nbsp;I.A. Milekhin ,&nbsp;K.A. Gasnikova ,&nbsp;I.A. Eliseyev ,&nbsp;V. Yu. Davydov ,&nbsp;A.A. Bogdanov ,&nbsp;V. Kravtsov ,&nbsp;A.O. Mikhin ,&nbsp;B.R. Borodin ,&nbsp;A.G. Milekhin","doi":"10.1016/j.mtnano.2025.100633","DOIUrl":"10.1016/j.mtnano.2025.100633","url":null,"abstract":"<div><div>Transition metal dichalcogenides (TMDCs) have emerged as highly promising materials for nanophotonics and optoelectronics due to their exceptionally high refractive indices, strong excitonic photoluminescence (PL) in monolayer configurations, and the versatility to engineer van der Waals (vdW) heterostructures. In this work, we exploit the intense excitonic PL of a MoSe<sub>2</sub> monolayer combined with the high refractive index of bulk WS<sub>2</sub> to fabricate microdisk cavities with tunable light emission characteristics. These microdisks are created from a 50-nm-thick WS<sub>2</sub>/MoSe<sub>2</sub>/WS<sub>2</sub> double heterostructure using frictional mechanical scanning probe lithography. The resulting cavities achieve a 4-10-fold enhancement in excitonic PL from the MoSe<sub>2</sub> monolayer at wavelengths near 800 nm. The excitonic PL peak is modulated by sharp spectral features, which correspond to whispering gallery modes (WGMs) supported by the cavity. A microdisk with a diameter of 2.35 μm demonstrates WGMs with a quality factor of up to 700, significantly surpassing theoretical predictions and suggesting strong potential for lasing applications. The spectral positions of the WGMs can be finely tuned by adjusting the microdisk's diameter and thickness, as confirmed by theoretical calculations. This approach offers a novel route for developing ultra-compact, all-TMDC double heterostructure light sources with record-small size.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100633"},"PeriodicalIF":8.2,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Boron-doped carbon nanowalls as effective electrodes for non-enzymatic electrochemical glucose detection: A novel bimodal EC-SALDI-MS approach 硼掺杂碳纳米壁作为非酶电化学葡萄糖检测的有效电极:一种新的双峰EC-SALDI-MS方法
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-12 DOI: 10.1016/j.mtnano.2025.100635
I.S. Hosu , M. Sobaszek , M. Ficek , R. Bogdanowicz , Y. Coffinier
{"title":"Boron-doped carbon nanowalls as effective electrodes for non-enzymatic electrochemical glucose detection: A novel bimodal EC-SALDI-MS approach","authors":"I.S. Hosu ,&nbsp;M. Sobaszek ,&nbsp;M. Ficek ,&nbsp;R. Bogdanowicz ,&nbsp;Y. Coffinier","doi":"10.1016/j.mtnano.2025.100635","DOIUrl":"10.1016/j.mtnano.2025.100635","url":null,"abstract":"<div><div>For the first time, boron-doped carbon nanowalls (B-CNWs) have been used as effective working electrodes for non-enzymatic electrochemical glucose detection. To achieve optimal response time and sensitivity, we activated B-CNWs by polarising them at 1.1 V in NaOH for 60 min. We established a robust linear dynamic range for glucose concentrations from 10 to 550 μM and calculated a limit of detection (LoD) of 10 μM. Additionally, B-CNWs demonstrated excellent selectivity for glucose, even in the presence of various interfering compounds like its isomer, galactose. Importantly, we showed that B-CNWs could detect gluconic acid, the oxidation product of glucose, using mass spectrometry in an off-line configuration. This novel approach combines electrochemical (EC) and surface-assisted laser desorption/ionisation mass spectrometry (SALDI-MS) detection, utilising the same nanomaterial (B-CNWs) in a bimodal configuration. This coupling represents a significant advancement in glucose sensing technology by leveraging the unique properties of B-CNWs and providing a powerful analytical tool for detecting, identifying, and understanding a wide range of chemical compounds and processes.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100635"},"PeriodicalIF":8.2,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144070632","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Self-assembly of centimeter-long micron-diameter fibers of isotropic spherical silica nanoparticles 各向同性球形二氧化硅纳米颗粒厘米长微米直径纤维的自组装
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-12 DOI: 10.1016/j.mtnano.2025.100636
Igor Sokolov , Tong Gao
{"title":"Self-assembly of centimeter-long micron-diameter fibers of isotropic spherical silica nanoparticles","authors":"Igor Sokolov ,&nbsp;Tong Gao","doi":"10.1016/j.mtnano.2025.100636","DOIUrl":"10.1016/j.mtnano.2025.100636","url":null,"abstract":"<div><div>We present a novel evaporation-driven concept for self-assembly of centimeter-scale anisotropic mesostructures from isotropic nanoscale components in solution. These centimeters-long micron-diameter fibers are grown from an aqueous dispersion of 60 nm isotropic silica nanoparticles during the drying. We propose that water evaporation drives nanoparticle aggregation into porous structures, amplifying further evaporation and nanoparticle transport to fuel continuous fiber growth via a self-sustaining process. A theoretical model capturing the essence of the growth process closely matches experimental observations, suggesting the mechanism is likely nanoparticle-independent as interparticle interactions play a negligible role. This study introduces a new paradigm in self-organization, which is distinct from previous works relying on particle anisotropy or osmotic forces. Combining evaporation and nanoparticle dynamics opens exciting avenues for exploring and applying self-assembly in nanotechnology, promising novel materials with unique properties and functionalities.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100636"},"PeriodicalIF":8.2,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144106693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
Revisiting the structural dynamics of gold clusters by machine learning force field 用机器学习力场重访金团簇的结构动力学
IF 8.2 2区 材料科学
Materials Today Nano Pub Date : 2025-05-10 DOI: 10.1016/j.mtnano.2025.100634
Li Ping Ding , Hang Liu , Hong Yuan Xu , Shao Fei Lei , Peng Shao , Feng Ding
{"title":"Revisiting the structural dynamics of gold clusters by machine learning force field","authors":"Li Ping Ding ,&nbsp;Hang Liu ,&nbsp;Hong Yuan Xu ,&nbsp;Shao Fei Lei ,&nbsp;Peng Shao ,&nbsp;Feng Ding","doi":"10.1016/j.mtnano.2025.100634","DOIUrl":"10.1016/j.mtnano.2025.100634","url":null,"abstract":"<div><div>The structural evolution of gold clusters has been investigated by numerous density functional theory (DFT) studies. However, due to the slow computational efficiency of DFT, these studies tend to be scattered and lack systematicness. We have developed a robust machine learning force field (MLFF) of gold. The accuracy and robustness of the MLFF were validated by comparing DFT results. By integrating the highly efficient MLFF, which is about 1000,000 times faster than DFT calculations, with the CALYPSO global search method, we systematically explored Au<sub><em>n</em></sub> clusters spanning a wide range of sizes (<em>n</em> = 2–55) and uncovered several key issues: (<em>i</em>) revealing the critical transition points from planar to 3D structures (<em>n</em> = 14) and from cage-like to core-shell structures (<em>n</em> &gt; 26); (<em>ii</em>) discovering new stable cluster structures; (<em>iii</em>) conducting an in-depth analysis of the core-shell model. This study shows that MLFF can be used to study complex structural systems like clusters and address systematic issues related to larger clusters. It also indicates the potential of MLFF in tackling more complex problems, including mixed and ligand-protected clusters.</div></div>","PeriodicalId":48517,"journal":{"name":"Materials Today Nano","volume":"30 ","pages":"Article 100634"},"PeriodicalIF":8.2,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143934931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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