Nanoscale最新文献

{"title":"Exploring the insertion mechanism of pseudocapacitive perovskite oxide La-Ni-Co-O anode materials and the application to Li-ion capacitor and Li-based dual ion batteries.","authors":"Yi Li,Yuxi Huang,Rui Ding,Caini Tan,Jian Guo,Yiqing Lu,Zhiqiang Chen,Yibo Zhang,Runzhi Xu","doi":"10.1039/d5nr03043a","DOIUrl":"https://doi.org/10.1039/d5nr03043a","url":null,"abstract":"Different proportions of La-based perovskite oxide La-Ni-Co-O were synthesized by a co-precipitation procedure using metal nitrate as the starting material in this work. X-ray diffraction (XRD) results confirmed the formation of a perovskite oxide, La-Ni-Co-O/La2O3 (denoted as LNCO/LO). Electrochemical tests on perovskite oxides with varying ratios demonstrated that the LNCO(1 : 3)/LO composite exhibited optimal performance (294.9-189.3 mAh g-1/0.1-3.2 A g-1/146% retention/1000 cycles/2 A g-1). Ex situ XRD and XPS reveal that the LNCO(1 : 3)/LO electrode exhibits an insertion mechanism for Ni and Co electroactive sites for Li-ion storage. In addition, La2O3 plays a supporting and filling role in the system. Electrochemical kinetic analysis reveals that the LNCO(1 : 3)/LO material is primarily controlled by pseudocapacitor behavior, with the proportion of pseudocapacitor control increasing as the sweep speed increases. Interestingly, the optimal ratio of perovskite material LNCO(1 : 3)/LO is first applied to LNCO(1 : 3)/LO//activated carbon (AC) LICs and LNCO(1 : 3)/LO//graphite (KS6) Li-DIBs, and research has found that it has excellent performance, indicating that perovskite materials have broad application prospects in the field of lithium-ion capacitors and lithium-dual-ion batteries.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"31 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145182752","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":"Ultra-Low Gadolinium Doping in Multi-Core Iron Oxide Enables Efficient Dual-Mode MRI and Magnetic Hyperthermia: A Structure-Function Study","authors":"Milos Ognjanovic, Ralitsa Mladenova, Jana Vojtova, Oliver Strbak, Hristo G. Kolev, Martin Fabian, Vladimir Girman, Biljana Dojcinovic, Sanja Vranješ Djurić, Bratislav Antic","doi":"10.1039/d5nr03307a","DOIUrl":"https://doi.org/10.1039/d5nr03307a","url":null,"abstract":"We present a novel strategy for engineering multifunctional nanoplatforms for cancer theranostics by employing ultra-low gadolinium (Gd3+) doping to optimize the performance of maghemite (γ-Fe2O3) “nanoflowers” for both magnetic resonance imaging (MRI) and magnetic hyperthermia treatment (MHT). Controlled Gd3+ doping up to 1.7 mol% was sufficient to significantly alter the material properties while preserving the γ-Fe2O3 phase and hierarchical multi-core architecture. X-ray photoelectron spectroscopy (XPS) revealed that doping induces critical surface defects, specifically a gradual increase in surface Fe2+ species and non-lattice oxygen with increasing Gd3+ content, indicating redox imbalance and the formation of oxygen vacancies. Electron paramagnetic resonance (EPR) measurements confirmed that these defects enhance magnetic anisotropy and spin disorder, while SQUID magnetometry showed that all samples retained superparamagnetic behavior despite a non-monotonic decrease in saturation magnetization. Under external alternating magnetic fields (AMF), the Gd0.011Fe1.989O3 sample exhibited the highest MHT performance, with Intrinsic Loss Power (ILP) values reaching up to 2.73 nH·m2/kg. Simultaneously, MRI relaxometry at 7 T demonstrated that low-level Gd3+ doping markedly improved both longitudinal (r1) and transverse (r2) relaxivities. The Gd0.022Fe1.978O3 sample achieved an exceptional r2 value of 253.3 mM−1s−1, with an r2/r1 ratio exceeding 220, making it a powerful T2-weighted MRI contrast agent. Importantly, the Gd0.011Fe1.989O3 sample showed a tunable balance, with a favorable r2/r1 ratio suitable for dual-mode T1/T2 MRI imaging and MHT. These findings underline the novelty of operating in an ultra-low Gd regime, where defect engineering and tailored multi-core architecture synergistically optimize the structure–property–function relationship, paving the way for safer and more effective theranostic nanoplatforms.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"30 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183391","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":"Structural Distortions Control Scaling of Exciton Binding Energies in Two-Dimensional Ag/Bi Double Perovskites","authors":"Pierre Lechifflart, Raisa-Ioana Biega, Linn Leppert","doi":"10.1039/d5nr03010b","DOIUrl":"https://doi.org/10.1039/d5nr03010b","url":null,"abstract":"Three-dimensional metal halide double perovskites such as Cs<small>₂</small>AgBiBr<small>₆</small> exhibit pronounced excitonic effects due to their anisotropic electronic structure and chemical localization effects. Their two-dimensional derivatives, formed by inserting organic spacer molecules between perovskite layers, were expected to follow well-established trends seen in Pb-based 2D perovskites, namely, increasing exciton binding energies with decreasing layer thickness due to enhanced quantum and dielectric confinement. However, recent experimental and computational studies have revealed anomalous behavior in Ag/Bi-based 2D perovskites, where this trend is reversed. Using ab initio many-body perturbation theory within the <em>GW</em> and Bethe-Salpeter Equation frameworks, we resolve this puzzle by systematically comparing experimental structures with idealized models designed to isolate the effects of octahedral distortions, interlayer separation, and stacking. We find that structural distortions, driven by directional Ag d orbital bonding, govern the momentum-space origin and character of the exciton, and are the primary cause of the observed non-monotonic trends. Furthermore, we explore how interlayer distance and stacking influence band gaps and exciton binding energies, showing that, despite different chemistry, the underlying confinement physics mirrors that of Pb-based 2D perovskites. Our results establish design principles for tuning excitonic properties in this broader class of layered, lead-free materials.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"31 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183394","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":"Fuel-driven filamentous phage nanomotors","authors":"Xi Ding, Shamima Zaman, Emily P. Africa, Bahman Anvari, Elaine D. Haberer","doi":"10.1039/d5nr02501j","DOIUrl":"https://doi.org/10.1039/d5nr02501j","url":null,"abstract":"Virus-based nanocarriers have shown great potential for noninvasive delivery of drugs, diagnostics, and imaging agents to hard-to-reach anatomical locations. Yet, they largely depend on diffusion for transport, often lacking the force to actively penetrate biological barriers, and navigation to guide therapeutic agents. In these studies, the M13 bacteriophage, a linearly shaped virus, was converted from passive nanocarrier to actively propelled, fuel-driven nanomotor. Using the distinctive low symmetry of its capsid, a single Pt nanoparticle was added to one end of the M13 virus to form a tadpole-like structure. The Pt/M13 head/tail nanomotors exhibited notably enhanced diffusion in the presence of hydrogen peroxide fuel, and significantly improved uptake by SVOK3 ovarian cancer cells in vitro. Given the successes of the M13 bacteriophage as a nanocarrier, the demonstration of this simple, but comparatively mobile M13-based nanomotor platform represents an important step in advancing the potential therapeutic efficacy of viral nanocarriers.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"5 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145188971","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":"A Low-cost, Lithium-rich Zirconium-based Oxyhalide Solid Electrolyte Featuring an Efficient Ion Transport Structure","authors":"Qingtao Wang, Pengfei Du, Peng Zhang, Zhenyang Shen, Yongmei Zhou, Ying Liu","doi":"10.1039/d5nr03081a","DOIUrl":"https://doi.org/10.1039/d5nr03081a","url":null,"abstract":"Emerging halide solid electrolytes have garnered significant attention in the development of high-performance all-solid-state lithium batteries (ASSLBs) due to their exceptional high-voltage oxidation stability and compressibility. Recently reported low-cost Li2ZrCl6 demonstrates considerable potential for application. However, its ionic conductivity remains relatively low at room temperature. Here, we employ a strategy of lithium enrichment and induce a phase transition in its crystal structure by incorporating Li2O into Li2ZrCl6 through high-energy ball milling. The substitution of O2⁻ for Cl⁻ sites results in the synthesis of an electrolyte that retains the same structure as Li3ScCl6, rather than adopting a trigonal phase. The monoclinic structure of Li6ZrCl6O2 facilitates faster ionic transport. At 25℃, the conductivity of lithium ions is measured at 6.69×10⁻4 S cm⁻1. The experimental results and density functional theory (DFT) calculations indicate that the incorporation of Li2O enhances the concentration of lithium elements, transforms the crystal structure, and optimizes the surface structure. These changes effectively improve the conductivity of lithium ions in the solid electrolyte. In addition, the prepared solid electrolyte Li6ZrCl6O2 is assembled with the Li6PS5Cl (LPSCl) isolation layer, the Li(Ni0.8Co0.1Mn0.1)O2 (sc-NCM811) positive electrode, and the Li-In alloy to form an ASSLB. The initial coulombic efficiency of the ASSLB is as high as 84.85%, with an initial discharge specific capacity of 204.58 mA h g⁻¹. Additionally, it demonstrates good long-term cycle stability, with a capacity retention rate of 93.5% after 100 cycles at 0.5C.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"18 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183396","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":"Field driven evolution of periodic antiferromagnetic skyrmion in non-centrosymmetric semiconducting monolayer","authors":"Liyenda Gogoi, P. Deb","doi":"10.1039/d5nr03229f","DOIUrl":"https://doi.org/10.1039/d5nr03229f","url":null,"abstract":"Antiferromagnetic skyrmions are topologically protected, stable nanoscale spin textures with countable particle-like properties, which are resistant to skyrmion Hall effect, and suitable for high-density data storage spintronic applications. However, the absence of long-range periodic antiferromagnetic skyrmion order in dynamically stable single-layer semiconducting materials hinders the compatibility and integrability of skyrmion-based devices with existing semiconductor-based technologies. Here, in this work, we demonstrate the nucleation of periodic antiferromagnetic skyrmions in a Janus non-centrosymmetric semiconducting monolayer, MnBrCl. In the Janus monolayer with a unique antiferromagnetic double-stranded helical ground state configuration of magnetic moments, a periodic antiferromagnetic skyrmion is nucleated under a magnetic field, which has not been reported previously. We have thoroughly investigated the microscopic origin of this periodic, topologically protected structure and propose a four-sublattice framework that explains the field-driven nucleation of antiferromagnetic skyrmions. This mechanism of antiferromagnetic skyrmion evolution, based on the four-sublattice framework, offers a new perspective on the formation of periodic antiferromagnetic skyrmions. Our analysis also provides deeper insight into the controllability of magnetic topology in Janus non-centrosymmetric material. Further, the magnetic tunability of the nucleated periodic AFM skyrmions suggests suitability of the materials for parallel processing applications in multi-state memory devices and neuromorphic computing, thereby enriching the domain of AFM skyrmion based spintronic.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"17 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145188972","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":"Formation of Covalent Ga-C Bonds on Liquid Metal Nanoparticles with Enhanced Stability and Anti-Oxidation","authors":"Chuangxin Zhou, Zhiheng Zhang, Yuan Gao, Weize Diao, Siyi Zou, Jun Zhu, Jiangtao Xu, Guozhen Liu","doi":"10.1039/d5nr03476k","DOIUrl":"https://doi.org/10.1039/d5nr03476k","url":null,"abstract":"Surface modification of Eutectic Gallium Indium (EGaIn) to inhibit oxidation has been a long-lasting challenge in material science, with limited research reporting the formation of a covalent bond between Ga and modifiers for stability purposes. Taking advantage of strong reductive property of EGaIn, this study developed a simple method for spontaneous reduction of aryldiazonium salts on EGaIn nanoparticle surface to form stable covalent Ga-C sigma bonds, effectively suppressing surface oxidation.Comprehensive characterization confirmed the formation of the covalent Ga-C bond rather than Ga-N=N-C bonds on the EGaIn nanoparticle surface. Approximately 20% of Ga(0) in EGaIn forms Ga-C bonds. Notably, the short chain aryl modified EGaIn nanoparticles exhibited high stability and negligible surface oxidation. This straightforward strategy for preparing stable aryl modified EGaIn nanoparticles allows the introduction of a range of ligands on the EGaIn nanoparticle surfaces, offering promising opportunities for diverse applications across multiple fields.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"70 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183388","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":"Reactive Deposition of Pt Single-Atoms on g-C3N4: Effect of Pt-Precursors","authors":"Nawres Lazaar, Shanshan Qin, Abdessalem Hamrouni, Hinda Lachheb, Jan Kolarik, Xuemei Zhou, Patrik Schmuki","doi":"10.1039/d5nr03212a","DOIUrl":"https://doi.org/10.1039/d5nr03212a","url":null,"abstract":"Anchoring Pt single atoms (SAs) as co-catalysts on g-C3N4 has emerged as a promising approach to enhance the hydrogen production performance of this photocatalytic system. Particularly, by so-called reactive deposition, a maximum HER performance can be achieved using a minimum amount of Pt loading. In this study, we explore the effects of different platinum (Pt) precursors on the reactive deposition of single atoms (SAs) onto g-C3N4, aiming to optimize the performance in photocatalytic hydrogen production. By examining a variety of Pt precursor types, we highlight critical parameters influencing deposition, including precursor charge, solution pH, ionic strength, and ligand properties. Our results reveal that precursors bearing anionic charges are distinctly more effective than cationic precursors for depositing highly active Pt single atoms. Crucially, we find that the surface deposition reaction strongly depends on the ligand involved, with chloride-based complexes enabling more efficient Pt attachment compared to bromide-based complexes. Notably, variations in the oxidation state of platinum (Pt4+ versus Pt2+) did not significantly influence deposition outcomes. Among all precursors studied, (NH4)2PtCl6 achieved the highest catalytic activity, with optimal Pt loading (~0.026 wt.%) and superior hydrogen evolution rates surpassing the widely utilized H2PtCl6 precursor. Furthermore, adjustments to solution conditions, such as significant pH changes due to increased ionic strength, were found to negatively impact deposition and catalytic effectiveness. These insights underscore the importance of precursor selection and solution chemistry control, providing a robust basis for the development of efficient and cost-effective single-atom photocatalysts formed by adsorption-reaction treatments.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"105 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183389","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":"Computational screening of M2N4-C-type dual-atom-catalysts for electrochemical ammonia synthesis by the first-principles DFT and machine learning","authors":"Jiaxiang Wu, Ziyang Qu, Xiangyu Zhu, Erjun Kan, Cheng Zhan","doi":"10.1039/d5nr03036f","DOIUrl":"https://doi.org/10.1039/d5nr03036f","url":null,"abstract":"Electrochemical ammonia synthesis is expected to complement the conventional Haber-Bosch method due to its low carbon emissions and stable operation under ambient conditions. However, due to the complexity of reaction pathways in nitrogen reduction reaction (NRR), rapid identification and prediction of NRR electrocatalyst is computationally expensive and challenging. In this work, taking the graphene-based M2N4-C dual-atom-catalysts (DACs) family as an example, we investigated the NRR activity and mechanisms on 45 candidates with the M from 3d transition metals. Six candidates were predicted to be promising NRR catalysts from DFT calculation. A universal descriptor Ф is trained from 4860 DFT-obtained data points to predict NRR activity and path preference. The ML-trained descriptor Ф shows 84% probability in correctly qualitative prediction of NRR activity. Most importantly, the robustness and transferability of descriptor Ф is further confirmed in other M2N4-C DACs with M in 4d transition metals. Our study shows a practical strategy for fast computational screening of NRR catalysts based on DFT and ML-trained universal descriptor, which could significantly benefit the development of electrochemical ammonia synthesis in industry.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"21 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183390","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":"Oxygen Vacancy-Enriched SnO2/NiO n-p Heterointerfaces for High-Efficiency Oxygen Evolution Reaction Catalysis","authors":"Chao Ge, Jing Li, Bin He, Yunlan Gu, Yawen Tang, Tongfei Li","doi":"10.1039/d5nr03372a","DOIUrl":"https://doi.org/10.1039/d5nr03372a","url":null,"abstract":"The quest for efficient “green” hydrogen generation through renewable electricity-powered water splitting confronts profound challenges, most notably the progressive deterioration of catalytic performance and significant constraints imposed by mass transport inefficiencies under industrially pertinent high-current conditions. To overcome these formidable challenges, we have engineered a structurally refined, oxygen-vacancy-enriched SnO2/NiO n-p hollow nanotube-structured heterostructure (denoted as SnO2/NiO HNTs) via a facile electrospinning and post-calcination-mediated interfacial design. Rooted in a hollow nanofibers structure, this innovative interface orchestrates the formation of a catalytically potent architecture, bestowing dual functional merits: (1) an electronically tailored oxygen-enriched surface that precisely tunes the adsorption energetics of oxygen intermediates, and (2) a meticulously engineered three-dimensional (3D) porous framework composed of one-dimensional (1D) nanofibers that promotes swift bubble release and efficient electrolyte penetration. This harmonious architectural synergy empowers the SnO2/NiO HNTs electrode to attain a remarkably low oxygen evolution reaction (OER) overpotential of 200 mV at a current density of 10 mA cm-2, while sustaining robust operational stability beyond 90 hours. In situ Raman spectroscopic analysis reveals that the strategic construction of the n-p heterojunction not only dramatically facilitates the surface reconstruction of NiO to yield authentic NiOOH active species, but also substantially lowers the formation energy barrier for oxygen-containing intermediates during the OER, thereby markedly enhancing the overall catalytic efficiency of the reaction. The demonstrated interface engineering strategy with n-p heterojunction provides a generalized design paradigm for overcoming mass transport limitations in high-rate gas evolution electrocatalysis.","PeriodicalId":92,"journal":{"name":"Nanoscale","volume":"4 1","pages":""},"PeriodicalIF":6.7,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145183393","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}