Nanoscale Advances最新文献

{"title":"Electronic and magnetic properties of Janus monolayer Al₂SO modified by defects and doping: a first-principles study.","authors":"Nguyen Thanh Tien, R Ponce-Pérez, Armando Reyes-Serrato, J Guerrero-Sanchez, D M Hoat","doi":"10.1039/d5na00569h","DOIUrl":"10.1039/d5na00569h","url":null,"abstract":"<p><p>In recent years, two-dimensional (2D) Janus structures have attracted great research attention because of their promise for practical applications. In this work, Janus monolayer Al₂SO under the effects of vacancy and doping is systematically investigated. The pristine Al₂SO monolayer exhibits a direct-gap semiconductor nature with a band gap of 1.52 eV. The chemical bonds Al1-O and Al2-S are predominantly ionic, meanwhile the covalent character dominates the Al1-Al2 bond. A single Al2 vacancy induces a half-metallic nature with a total magnetic moment of 1.00 <i>μ</i> _B, meanwhile no magnetism is obtained by creating a single Al1 vacancy that metallizes the monolayer. The nonmagnetic semiconductor nature is preserved with single O and S vacancies, which tune the band gap to 1.41 and 1.70 eV, respectively. Significant magnetism with an overall magnetic moment of 5.00 <i>μ</i> _B is induced by doping with a single Fe atom. Our simulations assert the antiferromagnetic semiconductor nature of the Fe-doped Al₂SO monolayer, where antiferromagnetism is more stable in the case of pair-Fe-atom substitution with an energy difference of 309.3 meV compared to ferromagnetism. Beyond monoelement doping, the substitution of small clusters of FeN₃ and FeF₃ is also investigated. These clusters induce a feature-rich electronic nature with total magnetic moments of 2.00 and 2.11 <i>μ</i> _B, respectively. In all cases, Fe atoms mainly induce the magnetic moment in the system. Small cluster doping also generates multiple mid-gap energy states around the Fermi level, which is crucial to control the electronic nature of the system. Our study provides new insights into the functionalization of the Janus monolayer Al₂SO that could be employed to make new promising 2D spintronic materials.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12466199/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145186397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced thermoelectric performance, inter-layer coupling effects and reduced lattice thermal conductivity in two-dimensional transition metal oxides.","authors":"Aadil Fayaz Wani, Kulwinder Kaur, Baljinder Kaur, Sikander Iqbal, Shobhna Dhiman, Shakeel Ahmad Khandy","doi":"10.1039/d5na00303b","DOIUrl":"10.1039/d5na00303b","url":null,"abstract":"<p><p>Two-dimensional metal oxides exhibit excellent waste heat recovery response, but still their efficiency requires improvement for commercial viability. Herein, a computational simulation is used to investigate the inter-layer coupling effect in AA-stacked NiO₂, PdO₂ and PtO₂ bilayers and has provided evidence of their experimental feasibility by demonstrating negative binding energy and positive phonon modes. An approximately twofold increase in <i>ZT</i> of these bilayers is reported, compared to their monolayer counterparts. The first reason being narrowing of the electronic band gap (<i>E</i> _g = 1.18 eV, 1.57 eV, 1.79 eV) and a rise in electrical conductivity brought on by longer relaxation time of carriers, which contributes to the enhancement of power factor. Additionally, the presence of multiple minima/maxima of conduction/valence bands near the Fermi level simultaneously boosts electrical conductivity and the Seebeck coefficient. Second, the softening of phonon modes, which reduces phonon group velocity, and the presence of van der Waals interlayer interactions, collectively contribute to a notable decrease in lattice thermal conductivity. Moreover, high Grüneisen parameters of XO₂ bilayers significantly influence their lattice thermal conductivity. At 700 K, the lattice thermal conductivity (<i>κ</i> _<i>l</i> ) drops to 8.69 W m^-1 K^-1, 4.71 W m^-1 K^-1 and 1.93 W m^-1 K^-1, respectively, for NiO₂, PdO₂ and PtO₂ bilayers, which is half of their monolayer counterparts. These effects collectively contribute to the improvement in <i>ZT</i> (1.05, 1.57, and 1.79, respectively). We anticipate that our observations will stimulate research on related low-dimensional materials for enhanced heat recovery performance.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12451456/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145131280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Strain effects on the electronic properties of cobalt-based coordination nanosheets.","authors":"Kento Nishigomi, Yu Yi, Souren Adhikary, Kazuhito Tsukagoshi, Katsunori Wakabayashi","doi":"10.1039/d5na00385g","DOIUrl":"10.1039/d5na00385g","url":null,"abstract":"<p><p>We theoretically study strain effects on the electronic properties of cobalt-based benzenehexathiol (CoBHT) coordination nanosheets using first-principles calculations. Two distinct crystal structures, high-density structure (HDS) and low-density structure (LDS), are explored. Our results reveal that HDS behaves as a metal, while LDS exhibits semiconducting properties. Spin-polarized electronic band structures highlight the presence of energy band structures of the Kagome lattice, and the inclusion of spin-orbit coupling (SOC) results in band gap openings at high-symmetric <i>K</i> points. Furthermore, we construct a tight-binding model to investigate the topological properties of CoBHT, demonstrating anomalous Hall conductivity driven by the intrinsic Berry curvature. The impact of uniaxial strain on the electronic and magnetic properties of CoBHT is also studied. Strain induces significant modifications in magnetic moments and density of states, particularly in the HDS. Anomalous Hall conductivity is enhanced under hole-doping conditions, suggesting that strain can be used to tailor the electronic properties of CoBHT for specific applications. Our findings underscore the potential of CoBHT nanosheets for use in next-generation electronic, optoelectronic, and catalytic devices with tunable properties through strain engineering.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12451603/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145131389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exsolution of Fe-based pyramidal nanostructures from a noble metal doped perovskite matrix","authors":"Deblina Majumder, Shailza Saini, William S. J. Skinner, Alex Martinez Martin, Gwilherm Kerherve, David J. Payne, Debayan Mondal, Evangelos I. Papaioannou and Kalliopi Kousi","doi":"10.1039/D5NA00469A","DOIUrl":"10.1039/D5NA00469A","url":null,"abstract":"<p >Homogeneous pyramidal oxide exsolution is demonstrated for the first time leveraging a La<small>_0.05</small>Ag<small>_0.05</small>Sr<small>_0.90</small>FeO<small>₃</small> perovskite. The impressive structures were comprehensively characterised using XRD, SEM, TEM, XPS, and DFT to reveal their structural and chemical identity. The hierarchical oxide formation highlights the potential of exsolution as a nano-engineering method for developing oxide-based catalysts.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 20","pages":" 6426-6437"},"PeriodicalIF":4.6,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12424076/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145065141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Magnetic particle spectroscopy for Eu-VSOP quantification in intestinal inflammation: distinguishing nanoparticle signals from dietary contamination","authors":"Norbert Löwa, Laura Golusda, Daniela Paclik, Heike Traub, Mathias Schannor, Jessica Saatz, Christian Freise, Matthias Taupitz, Britta Siegmund, Anja A. Kühl and Frank Wiekhorst","doi":"10.1039/D5NA00452G","DOIUrl":"10.1039/D5NA00452G","url":null,"abstract":"<p >Magnetic nanoparticles are gaining increasing attention as a promising alternative to gadolinium-based contrast agents in magnetic resonance imaging, primarily due to their low toxicity. In this study, we investigated the use of magnetic iron oxide nanoparticles in mouse models of intestinal inflammation to assess their potential for detecting changes in the extracellular matrix. For magnetic quantification, we employed magnetic particle spectroscopy, which offers high sensitivity and minimal interference from biological tissue. However, we observed significant variations in magnetic signals within the intestine, as well as measurable signals in control animals, indicating possible magnetic contamination. By doping the nanoparticles with europium, we were able to confirm this suspicion through quantitative elemental analysis. Examination of mouse feed and feces allowed us to identify the source of contamination. Based on these findings, we developed a method to reliably distinguish genuine signals of magnetic nanoparticles from those caused by external magnetic contaminations. This approach is essential to ensure reliable results in future diagnostic and preclinical research.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 20","pages":" 6525-6534"},"PeriodicalIF":4.6,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12406948/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145000957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimized adsorption of volatile organic compounds on graphene oxide and nanoporous graphene activated with ZnCl2: a combined experimental and computational study","authors":"Tahereh Zafari, Soheila Sharafinia, Alimorad Rashidi, Mehdi D. Esrafili, Bahram Keyvani and Mohsen Mousavi","doi":"10.1039/D5NA00199D","DOIUrl":"10.1039/D5NA00199D","url":null,"abstract":"<p >The present research is a comparison study of adsorption capacity of graphene oxide (GO) and nanoporous graphene (NPG) for volatile organic compounds' vapor (here gasoline vapor) adsorption. GO was synthesized using the modified Hummers method. For the synthesis of NPG, a low-cost precursor with unique properties (camphor) was used by the chemical vapor deposition (CVD) method. The effect of reaction temperature parameter, the ratio of camphor to zinc oxide nanocatalyst and reaction time was investigated. The physicochemical properties of the samples were characterized using XRD, FT-IR, Raman, FE-SEM, TEM and BET techniques. It was observed that activation by ZnCl<small>₂</small> at 600 °C and 180 min (<em>i.e.</em> NPG2) gives a surface area of 181.61 m<small>²</small> g<small>⁻¹</small>. NPG2 showed high adsorption capacity for VOC adsorption (559 mg g<small>⁻¹</small>), which was about 1.34–2.58 times more than other synthesized samples (adsorption capacities of PG1, PG3, GO1, GO2, and GO3 were 415, 310, 300, 367, and 216 mg. g<small>⁻¹</small>, respectively). The high VOC adsorption capacity of PG was due to its π–π interactions with the NPG surface. Therefore, the NPG2 sample was selected as the best sample. In general, all synthesized samples showed rapid kinetic behaviors for gasoline vapor adsorption, and their maximum adsorption capacity was obtained in the first 35 min. To shed insight on the adsorption process of gasoline on NPG and GO, density functional theory (DFT) calculations were performed. According to the DFT calculations, the adsorption strength of an isobutane (ISO) molecule improved as the pore size on the NPG increased. The adsorption energy of ISO on GO was less than that on NPG, most likely due to steric repulsion between the ISO and O moieties on the GO. The negative enthalpy and Gibbs free energy changes caused by ISO adsorption on NPG and GO showed that the process is thermodynamically favorable at room temperature and pressure.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 20","pages":" 6462-6474"},"PeriodicalIF":4.6,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12394901/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144961674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanomedicine revolutionizing cancer immunotherapy: recent advancements in nanotechnological strategies and applications.","authors":"Jay Bhatt, Sweny Jain, Sharad Gupta, Dhiraj Devidas Bhatia","doi":"10.1039/d5na00390c","DOIUrl":"10.1039/d5na00390c","url":null,"abstract":"<p><p>The convergence of nanotechnology and cancer immunotherapy represents a promising frontier in the fight against cancer, offering new avenues for enhancing therapeutic efficacy and precise personalized cancer treatments. This review presents recent advancements in nanomedicine that strategically target and modulate various immune cells to enhance anti-tumor responses and overcome barriers posed by the immunosuppressive tumor microenvironment for cancer treatment. By exploring advance strategies such as photoimmunotherapy, sonodynamic therapy, therapeutic nanovaccines, and surface-modified immune cells, we highlight how nanoparticles can go beyond drug delivery to actively reprogram immune pathways. Despite significant advances in cancer immunotherapy, current nanomedicine approaches struggle with poor targeting, immune evasion, systemic toxicity, <i>etc.</i> This review highlights recent breakthroughs that address these challenges by focusing on treatment that are induced using effective immune cells, innovative approaches to tumor reduction through targeted drug delivery systems, the development of enhanced combinational immunotherapy techniques, and the modification of immune cells using nanoparticles to enhance their anti-tumor activity through immune cell-specific strategies. These nanotechnological innovations hold the potential to overcome existing limitations in cancer immunotherapy, paving the way for more effective and personalized treatments to reshape cancer immunotherapy through synergistic, targeted, and immune-responsive strategies.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12498463/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145244650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and characterization of dodecylamine-capped ultrasmall metallic palladium nanoparticles (2 nm).","authors":"Niklas Kost, Oleg Prymak, Kateryna Loza, Christine Beuck, Peter Bayer, Claudia Weidenthaler, Marc Heggen, Cristiano L P Oliveira, Matthias Epple","doi":"10.1039/d5na00528k","DOIUrl":"10.1039/d5na00528k","url":null,"abstract":"<p><p>Dodecylamine-coated ultrasmall palladium nanoparticles were prepared by reduction of dichlorido(1,5-cyclooctadiene)palladium(ii) with <i>tert</i>-butylamine borane in benzene. The synthesis yielded several tens of milligrams per batch. The nature of the metal core as well as the ligand shell was elucidated by a combination of complementary methods. The particles had a diameter of about 2 nm (metallic core; by small-angle X-ray scattering and transmission electron microscopy) and a hydrodynamic diameter of about 5.4 nm (by ¹H-NMR DOSY in benzene). They were easily dispersible in organic solvents. The ligand shell was thoroughly investigated by ¹H and ¹³C NMR spectroscopy in dispersion, revealing about 170 ligand molecules on the surface of each 2 nm particle. X-ray powder diffraction (Rietveld refinement) and total-scattering pair distribution function analysis (PDF) showed metallic palladium nanoparticles with a crystallite size of about 2 nm, indicating a mostly single-domain nature of the nanoparticle core. X-ray photoelectron spectroscopy confirmed metallic nanoparticles also but detected oxidized palladium species.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" ","pages":""},"PeriodicalIF":4.6,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12445368/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145113800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulating properties of solid carbon nanospheres via ion implantation with hetero-ions","authors":"Joyce B. Matsoso, Kamalakannan Ranganathan, Daniel Wamwangi, Rudolph Erasmus, Neil J. Coville and Trevor Derry","doi":"10.1039/D5NA00616C","DOIUrl":"10.1039/D5NA00616C","url":null,"abstract":"<p >Solid carbon nanospheres of ∼200 nm diameter have been prepared and then doped by ion implantation, using a specialized end-station adapted for the uniform implantation of powders. Boron, nitrogen and neon ions were chosen, the latter for control purposes. Herein, the dependence of the physicochemical properties of solid carbon spheres on the fluence of the implanted ions was investigated by controlling the addition of the 100 keV of B<small>⁺</small>, N<small>⁺</small> or Ne<small>⁺</small> ions into the carbon shell over 7 h and 14 h implantation periods at room temperature. SEM analysis revealed significant surface deformation in the form of cracks for the Ne<small>⁺</small> implanted samples, whilst little structural deformation was observed with N<small>⁺</small> and B<small>⁺</small> implanted samples. Furthermore, TEM micrographs confirmed the dependence of the structural properties on the ion fluence. Finally, magnetic properties showed that the type of the hetero-ion as well as the affiliation of the carbon with the bonding configurations of the hetero-ion influenced the transition from diamagnetism to super-paramagnetism as absolute zero was approached. The Néel temperature varied somewhat but was below about 10 K. Boron conferred a much greater paramagnetic susceptibility at low temperature than the other ions and showed indications of a higher electrical conductivity at higher temperatures, suggesting an electronic doping effect. The study highlights the impact of the choice of the heteroatom ion on the properties of the solid carbon spheres for the development of next generation carbon-based electronic devices.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 20","pages":" 6451-6461"},"PeriodicalIF":4.6,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12421429/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145040934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Self-organization of photonic structures in colloidal crystals in the AI era","authors":"Neha Yadav, Mingming Liu, Yongling Wu, Ashish Yadav and Hongyu Zheng","doi":"10.1039/D5NA00449G","DOIUrl":"10.1039/D5NA00449G","url":null,"abstract":"<p >The advent of smart-engineered photonic materials, a development primarily influenced by the cutting-edge technology of artificial intelligence (AI), has ushered in a new era of unprecedented control over the manipulation and propagation of light. AI has been a driving force in the evolution of smart-engineered photonic materials, pushing the boundaries of what was once thought possible. Over the past few decades, using rationally engineered photonic structures for the unconventional control of light has become one of the most exciting frontiers in photonics and materials science. These artificially structured optical media, which include photonic crystals, plasmonic components, and optical metamaterials, have led to transformative changes in the entire vistas of optics science. Photonic crystals (PhCs) have gained significant attention from researchers due to their ability to self-assemble. PhCs exhibit physical properties such as photonic bandgaps, high reflectance/transmittance, low loss, and lasing in the visible range of wavelengths needed for optical systems of desired performance. For the application of these properties, significant efforts are being made to explore novel, cost-effective fabrication methods to develop 3D-PhCs based on nanoscience and nanotechnology, with AI playing a pivotal role. Nano-PhCs have enhanced optical and lasing properties, resulting in miniaturized optoelectronic systems with higher measurement reliability than existing systems. Keeping such advancements in view, this review discusses the latest techniques explored in AI technology to fabricate nano-PhCs, the specific role of AI in the fabrication process, and, notably, their potential applications in energy harvesting and artificial intelligence.</p>","PeriodicalId":18806,"journal":{"name":"Nanoscale Advances","volume":" 20","pages":" 6373-6393"},"PeriodicalIF":4.6,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12425135/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145065147","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}