Nanoscale最新文献

{"title":"In search of the smoothest nanoparticle surface: diffusion and mobility on Ag clusters","authors":"Nicolò Canestrari, Riccardo Ferrando, Diana Nelli","doi":"10.1039/d5nr01752a","DOIUrl":"https://doi.org/10.1039/d5nr01752a","url":null,"abstract":"Surface diffusion is the key atomic process in nanoparticle growth. Regular shapes and poorly defective surfaces can only be obtained if the deposited atoms are able to move over the entire surface of the nanoparticle, which may be hindered by the presence of edges separating adjacent facets. Edge-crossing is the rate-limiting step for adatom diffusion on nanoparticle surface and, consequently, edges of different sharpness are expected to differently affect diffusion processes. Here we investigate this problem in the case of a silver adatom diffusing on top of nanoparticles of different geometric shapes: tetrahedron, octahedron, Mackay icosahedron and chiral icosahedron. All structures have closed-packed (111) facets, on which diffusion is very fast, separated by edges of different types. By molecular dynamics simulations we identify the most relevant edge-crossing processes and estimate their activation barriers. Our results clearly show that the geometrical shape of the nanoparticle strongly influences the inter-facet diffusion of atoms, affecting the energy barriers of edge-crossing processes. Jump and exchange diffusion barriers depend on the sharpness of the edge in an opposite way, so that, interestingly, the smoothest surfaces for the diffusion of adatoms are the sharpest (the tetrahedron) and the most rounded (the chiral icosahedron). Our results for Ag clusters are expected to hold also for other fcc metals.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"75 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Janus MoXYCl (X = S, Se, Te; Y = N, P, As) monolayers: a promising family of 2D materials for high-performance p–i–n photodetectors and spintronic applications","authors":"Samaneh Soleimani-Amiri, Somayeh Gholami Rudi, Nayereh Ghobadi","doi":"10.1039/d5nr00982k","DOIUrl":"https://doi.org/10.1039/d5nr00982k","url":null,"abstract":"The development of two-dimensional p–i–n homojunctions offers promising potential for future electronic and optoelectronic devices. This study introduces a new Janus monolayer family, MoXYCl (X = S, Se, Te; Y = N, P, As), and investigates their potential as p–i–n photodetectors. Using first-principles calculations, we analyze their electronic, spintronic, transport, and optical properties. Stability is confirmed <em>via</em> phonon spectra, AIMD simulations, and cohesive energy calculations. Most monolayers, except MoSAsCl, MoSeNCl, and MoTeNCl, exhibit direct bandgaps at the K-point, with HSE-calculated values ranging from 1.16 to 2.02 eV (PBE: 0.80–1.66 eV). Spin–orbit coupling induces significant Zeeman and Rashba spin-splittings, with MoSePCl showing the highest Rashba coefficient (1.143 eV Å), highlighting spintronic potential. Mobility calculations reveal a large electron–hole disparity, with MoSeNCl exhibiting the highest hole mobility (6113 cm<small>²</small> V<small>⁻¹</small> s<small>⁻¹</small>) and MoSPCl the highest electron mobility (334.37 cm<small>²</small> V<small>⁻¹</small> s<small>⁻¹</small>). All MoXYCl monolayers exhibit high absorption coefficients (≥10<small>⁵</small> cm<small>⁻¹</small>) within the visible spectrum, and those with Y = P or As display substantial absorption in the infrared region. MoXYCl-based p–i–n photodetectors achieve high photocurrent (up to 25 A m<small>⁻²</small>) and photo-responsivity (up to 0.8 A W<small>⁻¹</small>) in visible and near-infrared regions. Increasing the channel length enhances photocurrent density and photo-responsivity, reaching 18.9 A m<small>⁻²</small> and 1 A W<small>⁻¹</small> (33.3 A m<small>⁻²</small> and 0.7 A W<small>⁻¹</small>) at 1.16 eV (3 eV) photon energy for <em>L</em> = 9 nm. These results underscore the potential of MoXYCl monolayers for optoelectronic and photodetector applications.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"634 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515488","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recyclable Luminescent Metal-Organic Framework with Self-Formed Diketone-like Sites for Cascade Ratiometric Detection","authors":"Li Pei, Jieming Zhang, Wenqin Ding, Jian Wang, Fangmin Huang, Yanhong Liu, Ziran Liu, Yafei Gao, Pengyan Wu","doi":"10.1039/d5nr01962a","DOIUrl":"https://doi.org/10.1039/d5nr01962a","url":null,"abstract":"The development of recyclable cascade sensing platforms capable of sequential detection and regeneration remains a critical challenge for sustainable technologies, owing to limitations in cross-sensitivity control, synthetic complexity, and material irreversibility. Herein, we report a self-assembled luminescent metal-organic framework, Cd-TCAT (TCAT = 4,4',4''-tricarboxyltriphenylamine/4H-1,2,4-triazole-3-amine), featuring in situ-generated diketone-like sites within its channels. These sites enable exceptional Tb³⁺ sensitization, yielding a 14.2-fold enhancement in the fluorescence intensity ratio (I₅₄₅/I₄₃₀). Mechanistic studies combining spectral analysis and DFT calculations reveal that the pre-organized diketone motifs selectively coordinate Tb³⁺, optimizing energy transfer for luminescence amplification. The resulting Tb³⁺@Cd-TCAT complex further acts as a cascade sensor, exhibiting ratiometric selectivity toward cysteine (Cys) over 20 natural amino acids through reversible host-guest interactions, which simultaneously regenerates the pristine MOF. Remarkably, this dual-functional platform maintains sensing efficiency after five reuse cycles, representing the recyclable MOF-based system for ratiometric cascade detection. This work establishes a design paradigm for engineering self-functionalized MOFs with tailored active sites to address multi-analyte sensing and sustainability demands.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"24 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Precursor concentration-driven structural evolution and phosphate distribution in electrospun zinc phosphate–carbon nanofibers for lithium-ion storage","authors":"Yrysgul Sagynbay, Long Kong, Zhumabay Bakenov, Ayaulym Belgibayeva","doi":"10.1039/d5nr00820d","DOIUrl":"https://doi.org/10.1039/d5nr00820d","url":null,"abstract":"Reduced zinc phosphate-based carbon composite (Zn<small>₃</small>P<small>_x</small>O<small>_y</small>@C) nanofibers are synthesized via electrospinning, followed by a two-step heat treatment. The effect of precursor concentration on structural evolution, phosphate distribution, and electrochemical performance is investigated. Solution viscosity influences fiber formation and component interactions, leading to distinct differences in phosphate confinement and porosity. Before annealing, phosphate species are predominant on the surface at low concentrations, balanced at optimal concentrations, and suppressed by polymer accumulation at high concentrations. After annealing, fiber diameters increase at low and optimal concentrations but shrink at high concentrations due to phase redistribution. The optimized nanofibers exhibit a specific surface area of 454 m<small>²</small> g<small>^-1</small> and 45 wt.% carbon, achieving high initial discharge and charge capacities of 1180.6 and 772.6 mAh g<small>^-1</small> at 100 mA g<small>^-1</small>, respectively, as free-standing lithium-ion battery anodes. These results provide insights into composition-driven nanofiber design for energy storage applications.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"19 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Reducing Deformation of Single-Walled Defective Silicon Carbide Nanotubes Under Charge Injection: A First Principles Study","authors":"Durairaj Mahendiran, P. Murugan, Michelle Jeanette Sapountzis Spencer","doi":"10.1039/d5nr01636c","DOIUrl":"https://doi.org/10.1039/d5nr01636c","url":null,"abstract":"Silicon carbide (SiC) based one-dimensional nanotubes possess distinctive physicochemical properties, make them attractive for semiconductor applications. In this context, defective SiC nanotube (D-SiCNTs), in particular, offer enhanced structural and electronic tunability due to their defect-driven characteristics. The formation of D-SiCNTs involves a complex interplay between electrostatic forces and edge-to-edge covalent interactions originating from AA-stacked bilayer zigzag SiC nanoribbons. By using first principles calculations, we investigated the structural stability and electronic properties of both undeformed and radially deformed D-SiCNTs. The results indicate that undeformed D-SiCNTs are structurally stable and exhibit semi-metallic behavior, where the energy bands near the Fermi level are predominantly arisen from Si-Si as well as C-C dimers. For larger diameter nanotubes (n ≥ 10), radial deformation occurs due to insufficient strain energy. Applied charge injection significantly modifies the structural and electronic properties of these nanotubes. Hole injection causes an expansion of the nanotube, increasing the Si–Si bond up to 10.6%, while electron injection causes a contraction of the structure, as well as converting the nanotube from being semi-metallic into metallic. Remarkably, the calculated bond strain values surpassed those typically found in conventional materials, highlighting the unique electromechanical response of D-SiCNTs. Nudged elastic band calculations indicate that an externally applied force facilitates the splitting of the charge-injected (10,10) D-SiCNT into stable (5,5) D-SiCNT subunits. This finding reveals a controllable pathway for nanotube synthesis, which can be utilized in nanoscale device applications. Overall, the D-SiCNTs exhibit significant potential for tunable nanodevices, electromechanical actuators, and advanced nanoelectronic applications.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"18 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nano vacuum devices utilizing two dimensional semiconductors and their potential","authors":"Cheul Hyun Yoon, Seok Hyun Yoon, Gil Su Jeon, Jun Yeong Choe, Gyeong Min Seo, Byoung Don Kong","doi":"10.1039/d5nr00656b","DOIUrl":"https://doi.org/10.1039/d5nr00656b","url":null,"abstract":"We have explored the potential of nanoscale vacuum channel transistors that utilize the edges of transition-metal dichalcogenides (TMDCs) as field emitters for high-frequency applications. The angstrom-scale thickness of monolayer TMDCs in a two-dimensional structure induces a strong field enhancement effect at the edge, facilitating cold emission. Additionally, their semiconducting nature enables control of the emission current by adjusting the tunneling barrier height through Fermi level control via the gate structure. We analyzed the field emission properties of monolayer TMDCs (MoS<small>₂</small>, MoSe<small>₂</small>, and WS<small>₂</small>), examining their current-voltage characteristics based on Fowler-Nordheim theory within a three-terminal vacuum channel transistor system. In this configuration, the emitter is aligned towards the drain electrode, parallel to the substrate, and the carrier dynamics were investigated in detail within the TMDC channels. We further calculated the screening effect induced by gate bias modulation, taking into account the extent of the monolayer TMDC edge protrusion into the vacuum channel. Additionally, we studied the distinctive modulation of the field enhancement factor, which can be adjusted through gate bias control. Finally, under a source-drain bias of 100 V, the transistors demonstrated both cutoff and maximum oscillation frequencies in the sub-terahertz to terahertz range, confirming their high-frequency operational potential.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"23 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Type-dependent effects of nanoplastics on microglial activation and CXCR2-mediated chemotactic migration","authors":"Jahong Koo, Bohyeon Jeong, Jeong Yeob Baek, Wang Sik Lee, Jiyoung Gong, Subin Park, Jiyeon Hong, Yugyeong Sim, Dae-Soo Kim, Sang Ryong Kim, Jinyoung Jeong, Da Yong Lee","doi":"10.1039/d5nr00638d","DOIUrl":"https://doi.org/10.1039/d5nr00638d","url":null,"abstract":"As plastic pollution continues to grow in various ecosystems, potential harmful effects of micro- and nanoplastics have become a great concern. Most studies on the biological effects of nanoplastics have been conducted using polystyrene nano- and microplastics. However, the majority of environmental plastic waste consists of a mixture of various types of plastics, such as polypropylene (PP) and polyethylene, polystyrene (PS), polyvinyl chloride and polymethyl methacrylate (PMMA). In this study, we compared the biological effects of nanoplastics derived from three different types of plastics (PS, PP and PMMA) on the functions of microglia, which are the predominant immune cells with macrophage-like functions in the brain. Our experiments with cultured primary rat microglia revealed that the cells exposed to PMMA nanoplastic (PMMANP) exhibited the highest M1 phase activity. Additionally, we found that PMMANP increased the migration ability of microglia by inducing the expression of chemokines, such as CXCL1 and CXCL2, in vitro and in vivo. These findings suggest that PMMANP-exposed brain microglia may accelerate neurological disorders by enhancing the recruitment of microglia and peripheral immune cells across the blood-brain barrier under neuropathological conditions.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"40 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144515498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wide-range human physiological signal acquisition with carbonized composite nanofiber","authors":"Jing Dai, Haozhen Li, Longcheng Que, Guangzhong Xie, Yuanjie Su","doi":"10.1039/d5nr00472a","DOIUrl":"https://doi.org/10.1039/d5nr00472a","url":null,"abstract":"Flexible pressure sensors provide a powerful platform for information acquisition from surrounding environment and individual body with bendable, stretchable, conformal and biocompatible properties. However, current pressure sensors with high sensitivity often withstand high cost and limited pressure measurement range, which remarkably constrains their adaptability to the diverse physiological activities. Herein, we developed carbonized polyacrylonitrile (PAN) nanofiber (CPN) by combining electrospinning with high-temperature carbonization. The synthesized CPN features low production costs, excellent stress transmission properties, controllable electrical conductivity and morphologies, achieving substantial merits of flexible pressure detection. The dependence of pressure sensing performance on carbonization temperature, mass ratio of composite materials, film thickness, and surface microstructure design were systematically investigated. The CPN/BC based flexible pressure sensors (CFPS) demonstrate an ultra-wide operating range from 0 to 250 kPa, high sensitivity (19.20 [kPa]-1), and rapid response and recovery times (62/32 ms). The as-fabricated CFPS can effectively monitor physiological signals across various pressure ranges, realizing a variety of practical application like intelligent healthcare, human-computer interaction, and the Internet of Things (IoT).","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"17 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144488744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrasound activated silica particles for efficient eradication of dental biofilms.","authors":"Menisha Manhota, Maria L Odyniec, Grace Ball, Daniel J Bell, Rininta Firdaus, Feng Wang, Yu-Lung Chiu, Rachel L Sammons, Sarah A Kuehne, A Damien Walmsley, Zoe Pikramenou","doi":"10.1039/d5nr01091h","DOIUrl":"https://doi.org/10.1039/d5nr01091h","url":null,"abstract":"<p><p>Dental infections and diseases are a global health problem, affecting more than 3.5 billion people worldwide. Bacterial biofilms are dominant contributors to oral disease and their treatment is challenging due to increased antimicrobial resistance and reduced efficiency of drug penetration. Low frequency ultrasound is an attractive stimulus for drug delivery systems with controlled, low power that does not interfere with chemical reactivity but may only influence intermolecular chemical interactions in localised applications. We present an ultrasound triggered nanodelivery system for localised treatment of biofilms. Our nanodelivery system is based on an antibacterial agent, cetylpyridinium chloride (CPC), incorporated as micelles within the silica particle framework (m-CPC⊂SiO2) which is only released by application of low frequency ultrasound, circumventing uncontrolled, \"burst\", drug leakage. Ultrasonic exposure of m-CPC⊂SiO2 from a clinical dental ultrasonic scaler device leads to release of CPC, not observed in the absence of ultrasound. High resolution electron microscopy of m-CPC⊂SiO2 on exposure to ultrasound reveals changes in the structural framework of the particles and reveals voids confirming release of CPC. The antimicrobial efficacy of the m-CPC⊂SiO2 nanosystem is investigated against 72 h single species <i>Streptococcus sanguinis</i> biofilms, a common dental bacterium. The ultrasound-activated m-CPC⊂SiO2 nanosystem shows improved antimicrobial activity leading to a 10 000-fold reduction in colony forming units of bacteria compared to treatment with only CPC. This approach is a transformative strategy for controlled and localised delivery of antibiotics for dental and medical applicatons in different clinical settings.</p>","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":" ","pages":""},"PeriodicalIF":5.8,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144493222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanomotor-mediated drug delivery with efficient blood-brain barrier crossing for active targeting and therapy of glioblastoma: A systematic review","authors":"Banafsheh Nikfar, Maryam Musavi, Shahla Chaichian, Gang Guo, Amir Abaas Momtazi-Borojeni","doi":"10.1039/d5nr02445e","DOIUrl":"https://doi.org/10.1039/d5nr02445e","url":null,"abstract":"Glioblastoma, as a primary brain tumor, is the most prevalent and destructive intracranial tumor, and its therapeutics are restricted by insufficient doses and toxicity, resulting from classical drug delivery systems using passive delivery. The active drug delivery approaches using tumor-targeted nanomotors with the ability to actively bypass blood-brain barriers (BBB) can enhance the permeability and accumulation of carried drugs into brain tumors. Nanomotors show self-propelled motion that enables them to autonomously navigate within biological fluids and efficiently penetrate across the blood vessels and BBB, thereby reducing systemic side effects and improving the efficacy of the administered dosage in the brain tumor. Several experimental studies have recently developed various functionalized nanomotors to specifically target and treat glioblastoma, chemotactic nanomotors, near-infrared (NIR) light-driving nanomotors, and bubble-driving nanomotors. With moving ability, such nanomotors provide superior bio-performances, including cellular uptake, BBB crossing, as well as deep tumor penetration and accumulation. In the present systematic review, recent advances in the treatment of glioblastoma with nanorobots are described, and mechanisms underlying their driving mode for penetrating and targeting glioblastoma are discussed.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"7 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144488579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}