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Search for "structure" in Full Text gives 2176 result(s) in Beilstein Journal of Nanotechnology. Showing first 200.

Micro- and nanoscale effects in biological and bioinspired materials and surfaces

  • Thies H. Büscher,
  • Rhainer Guillermo Ferreira,
  • Manuela Rebora and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2026, 17, 214–217, doi:10.3762/bjnano.17.14

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  • Chimica, Biologia e Biotecnologie, University of Perugia, Via Elce di Sotto 8, 06121 Perugia, Italy 10.3762/bjnano.17.14 Keywords: adhesion; bioengineering; functional morphology; material properties; medical coatings; microstructures; nanostructures; optics; structure–function relationships; Micro- and
  • application-driven side (“technology pull”) of bioinspired engineering, two studies demonstrated approaches based on technical advances informed by biological systems. Material structure and properties of biological systems are often considered a source of inspiration for construction of durable engineered
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Editorial
Published 28 Jan 2026

Time of flight secondary ion mass spectrometry imaging of contaminant species in chemical vapour deposited graphene on copper

  • Barry Brennan,
  • Vlad-Petru Veigang-Radulescu,
  • Philipp Braeuninger-Weimer,
  • Stephan Hofmann and
  • Andrew J. Pollard

Beilstein J. Nanotechnol. 2026, 17, 200–213, doi:10.3762/bjnano.17.13

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  • single crystals [3][20][21][22][23], utilising Raman spectroscopy to confirm the physical structure of the graphene [24][25][26] and X-ray photoelectron spectroscopy (XPS) to confirm the sp2 bonding configuration [27][28]. However, there is typically little consideration given to possible chemical
  • industry application. It also appears that there are variations in the presence and distribution of these species, depending on the grain orientation of the underlying copper foil; the grain structure evident in Figure 4a as a change in intensity of the C2− signal due to crystal orientation enhancement of
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Published 21 Jan 2026

Structure-dependent thermochromism of PAZO thin films: theory and experiment

  • Georgi Mateev,
  • Dean Dimov,
  • Nataliya Berberova-Buhova,
  • Nikoleta Kircheva,
  • Todor Dudev,
  • Ludmila Nikolova,
  • Elena Stoykova,
  • Keehoon Hong,
  • Dimana Nazarova,
  • Silvia Angelova and
  • Lian Nedelchev

Beilstein J. Nanotechnol. 2026, 17, 186–199, doi:10.3762/bjnano.17.12

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  • calculations further support these findings, indicating that temperature-dependent intermolecular interactions and conformational changes play a significant role in shaping the optical behavior of the films. These results provide new insights into the structure–property relationships underlying thermochromism
  • extends the functionality of polymer thin films. A specific group of photoreactive polymers comprises polymers with azo chromophores embedded in their structure [5][6]. These polymers exhibit photoresponsivity due to the trans–cis (E–Z) isomerization of the azo chromophores upon light irradiation. The
  • measuring the intensity of the emitted fluorescence light at another wavelength. Treating PAZO at 230 °C induced an increase in fluorescence intensity (≈400%) and a redshift (20 nm). Red shift can be induced by various factors, such as changes in the polymer structure, aggregation, or interactions with
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Published 20 Jan 2026

Safe and sustainable by design with ML/AI: A transformative approach to advancing nanotechnology

  • Georgia Melagraki

Beilstein J. Nanotechnol. 2026, 17, 176–185, doi:10.3762/bjnano.17.11

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  • complementary benefits within SSbD. First, predictive modelling tools, such as quantitative structure–activity relationship (QSAR) models, can forecast toxicological and physicochemical properties of emerging substances, reducing the reliance on time-consuming and costly experimental assays [24][25]. The
  • structure–activity relationship (QSAR) models can identify potentially hazardous properties of new ENMs before they are synthesized, reducing the need for extensive animal testing and accelerating the design cycle [36][37]. Similarly, AI can support the development of sustainable ENMs through integration of
  • expertise. Despite these obstacles, the future holds considerable opportunities. As the volume of high-quality, standardized data grows, ML algorithms will become more capable of identifying complex structure–property–toxicity relationships, potentially accelerating the safe commercialization of next
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Published 16 Jan 2026

From shield to spear: Charge-reversible nanocarriers in overcoming cancer therapy barriers

  • Madhuri Yeduvaka,
  • Pooja Mittal,
  • Ameer Boyalakuntla,
  • Usman Bee Shaik,
  • Himanshu Sharma,
  • Thakur Gurjeet Singh,
  • Siva Nageswara Rao Gajula and
  • Lakshmi Vineela Nalla

Beilstein J. Nanotechnol. 2026, 17, 159–175, doi:10.3762/bjnano.17.10

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  • microenvironment, thereby improving treatment efficacy. A notable study by Liu Y et al. described polymeric micellar nanoparticles incorporating hydrazone bonds within their core–shell structure; these hydrazone linkages are selectively cleaved under acidic conditions, such as those found in endosomes and
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Published 14 Jan 2026

Influence of surface characteristics on the in vitro stability and cell uptake of nanoliposomes for brain delivery

  • Dushko Shalabalija,
  • Ljubica Mihailova,
  • Nikola Geskovski,
  • Andreas Zimmer,
  • Otmar Geiss,
  • Sabrina Gioria,
  • Diletta Scaccabarozzi and
  • Marija Glavas Dodov

Beilstein J. Nanotechnol. 2026, 17, 139–158, doi:10.3762/bjnano.17.9

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  • lipid structure of NLs, leading to AC leakage, while plasma protein adsorption may cause particle aggregation [7]. In this sense, the presence of proteins in the tissue environment can alter cellular uptake of both cationic and anionic carriers [8]. In short, our understanding of how nanodelivery
  • several occasions, the presence of PEG on the surface of NLs can improve the physical stability of the liposomal dispersions through steric repulsion [24]. Therefore, formulations with a low amount of PEG or no PEG tend to agglomerate or lose their native structure, thus leading to fragmentation. Hence
  • unique in its composition being highly enriched in lipids, in particular cholesterol, which plays a key role in regulating the membrane structure, fluidity, and permeability as well as multiple aspects of the synaptic transmission [49]. In pure human SH-SY5Y cell cultures, the glia-derived cholesterol is
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Published 13 Jan 2026

Capabilities of the 3D-MLSI software tool in superconducting neuron design

  • Irina E. Tarasova,
  • Nikita S. Shuravin,
  • Liubov N. Karelina,
  • Fedor A. Razorenov,
  • Evgeny N. Zhardetsky,
  • Aleksandr S. Ionin,
  • Mikhail M. Khapaev and
  • Vitaly V. Bol’ginov

Beilstein J. Nanotechnol. 2026, 17, 122–138, doi:10.3762/bjnano.17.8

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  • numerical methods to reduce memory overhead and speed up inductance extraction. The high-frequency structure simulator by Ansys (HFSS) [16] and the Sonnet EM software [17] allow one to extract the frequency dependence of a device’s impedance. Several other methods can be mentioned that are not widely used
  • insets in Figure 3), the variable segment has the simplest (two-layer) cross section. The simulation was performed with mesh steps of 0.125…1 μm, using a reduced-size superconducting screen truncated at a distance of 10 μm from the structure edges (see next section for details). For clarity, the data is
  • investigations were performed as described in Appendix A. Numerical simulations were carried out assuming a truncated superconducting screen with a gap between the structure and the screen edge of 50 μm. Thus, the screen size (225…170 μm × 243…177 μm) was larger compared to test C-shaped SQUIDs, which led to an
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Published 13 Jan 2026

Development and in vitro evaluation of liposomes and immunoliposomes containing 5-fluorouracil and R-phycoerythrin as a potential phototheranostic system for colorectal cancer

  • Raissa Rodrigues Camelo,
  • Vivianne Cortez Sombra Vandesmet,
  • Octavio Vital Baccallini,
  • José de Brito Vieira Neto,
  • Thais da Silva Moreira,
  • Luzia Kalyne Almeida Moreira Leal,
  • Claudia Pessoa,
  • Daniel Giuliano Cerri,
  • Maria Vitória Lopes Badra Bentley,
  • Josimar O. Eloy,
  • Ivanildo José da Silva Júnior and
  • Raquel Petrilli

Beilstein J. Nanotechnol. 2026, 17, 97–121, doi:10.3762/bjnano.17.7

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  • findings highlight the importance of optimizing lipid composition not only according to the general hydrophilicity or lipophilicity of the drug, but also considering the molecular size, structure, and specific interactions with lipid components. The stability of formulations containing HSPC 50 was
  • efficiency than the formulation prepared at room temperature (25.22% vs 19.29%). This finding is supported by other studies, which demonstrated that elevated temperatures could alter the bilayer structure, negatively affecting ligand orientation and compromising functionalization efficiency [56]. Thus, the
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Published 09 Jan 2026

Functional surface engineering for cultural heritage protection: the role of superhydrophobic and superoleophobic coatings – a comprehensive review

  • Giuseppe Cesare Lama,
  • Marino Lavorgna,
  • Letizia Verdolotti,
  • Federica Recupido,
  • Giovanna Giuliana Buonocore and
  • Bharat Bhushan

Beilstein J. Nanotechnol. 2026, 17, 63–96, doi:10.3762/bjnano.17.6

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  • stone sculptures and building protection, silicone-based consolidants and acrylic resins were adopted [25], offering resistance by penetrating in the porous structure of the artwork surface. As an alternative, together with the protection of stone structures, the path of restoration was also considered
  • terminology became necessary [47]. In accordance with these two documents, preventive conservation measures are defined as actions aimed at avoiding or minimizing future deterioration or loss without interfering with the materials or structure of cultural heritage objects. Within this framework, protective
  • consolidant composed of tetraethoxysilane (TEOS) and PDMS, forming a protective and functional coating. The film structure fully integrated the C-dots, without altering TiO2 bonding, maintaining visual transparency and color neutrality on mortar surfaces. Under both UV and visible light, the coated mortars
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Published 07 Jan 2026

Microscopic study of the intermediate mixed state in intertype superconductors

  • Vyacheslav D. Neverov,
  • Alexander V. Kalashnikov,
  • Andrey V. Krasavin and
  • Alexei Vagov

Beilstein J. Nanotechnol. 2026, 17, 57–62, doi:10.3762/bjnano.17.5

Graphical Abstract
  • reproduce the known topology of superconductivity-type transitions and also extend it beyond the near-Tc regime to the entire temperature interval 0 < T < Tc. We note that, at lower temperatures (), the microscopic results reveal a subdivision within the IT regime: Around g ≃ 2.8, the vortex structure
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Published 07 Jan 2026

Subdigital integumentary microstructure in Cyrtodactylus (Squamata: Gekkota): do those lineages with incipiently expressed toepads exclusively exhibit adhesive setae?

  • Philipp Ginal,
  • Yannick Ecker,
  • Timothy Higham,
  • L. Lee Grismer,
  • Benjamin Wipfler,
  • Dennis Rödder,
  • Anthony Russell and
  • Jendrian Riedel

Beilstein J. Nanotechnol. 2026, 17, 38–56, doi:10.3762/bjnano.17.4

Graphical Abstract
  • parts of their linear structure. The relatively greater apical diameter and basal diameter of setae, compared to those of spines or prongs, likely serve to balance the need for stalk flexibility with maximizing adhesive potential [74][75][76][77][78]. If basal diameter and apical diameter were narrower
  • between stalks by packing them closer together. The higher density of prongs and spines is likely associated with their unbranched structure and the relative rigidity of these fibrils, which bend less and can, therefore, be positioned closer together without interfering with each other’s function [77
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Published 06 Jan 2026

Reduced graphene oxide paper electrode for lithium-ion cells – towards optimized thermal reduction

  • Agata Pawłowska,
  • Magdalena Baran,
  • Stefan Marynowicz,
  • Aleksandra Izabela Banasiak,
  • Adrian Racki,
  • Adrian Chlanda,
  • Tymoteusz Ciuk,
  • Marta Wolczko and
  • Andrzej Budziak

Beilstein J. Nanotechnol. 2026, 17, 24–37, doi:10.3762/bjnano.17.3

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  • carbonaceous base material was chosen due to its high conductivity. The relevance of rGO is not limited to only one electrode; Kiran et al. revealed performance enhancement of both cathode and anode materials for hybrid supercapacitors as a result of rGO application as core structure [11]. A similar approach
  • lithium sulfur batteries [19]. Such an improvement is enabled by the graphene-like structure and the defects within the flakes, represented not only by non-regular rings in the carbon lattice but also by the presence of oxygen functionalities and their percentile content [20][21][22]. A schematic
  • eletrochemical reduction methods may result in a more defective structure of the graphene material [29][30], which, in this case, should be considered as a shortcoming of such an approach. Thermal methods may be additionally beneficial as they promote changes in the material's morphology introducing air pockets
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Published 05 Jan 2026

Competitive helical bands and highly efficient diode effect in F/S/TI/S/F hybrid structures

  • Tairzhan Karabassov,
  • Irina V. Bobkova,
  • Pavel M. Marychev,
  • Vasiliy S. Stolyarov,
  • Vyacheslav M. Silkin and
  • Andrey S. Vasenko

Beilstein J. Nanotechnol. 2026, 17, 15–23, doi:10.3762/bjnano.17.2

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  • [1]. However, it should be emphasized that the lack of inversion symmetry is the implication of the gyrotropy in the structure of the material that supports nonreciprocal transport [39]. On the microscopic level, the lack of inversion symmetry is expressed by the SOC term. In this regard, systems
  • (F denotes ferromagnetic layer) hybrid structure depicted in Figure 1. We argue that such a hybrid structure can behave as a system with two helical bands as, for example, noncentrosymmetric superconductors [26][74]. However, the two helical bands in the structure under consideration are coupled not
  • The F/S/TI/S/F hybrid structure can be described by the following effective low-energy Hamiltonian in the particle–hole and spin space: where α is the Fermi velocity, μ is the chemical potential, and V is the impurity potential of a Gaussian form, which is used for further quasiclassical approximation
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Published 05 Jan 2026

Quantitative estimation of nanoparticle/substrate adhesion by atomic force microscopy

  • Aydan Çiçek,
  • Markus Kratzer,
  • Christian Teichert and
  • Christian Mitterer

Beilstein J. Nanotechnol. 2026, 17, 1–14, doi:10.3762/bjnano.17.1

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  • only at 0 V substrate bias of all them may arrive at the substrate. For simplicity, we assumed a single elementary charge e having a value of 1.6 × 10−19 A·s [53]. Choosing the mechanical properties of the NPs is not straightforward as their internal structure is unknown. Nevertheless, the following
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Published 02 Jan 2026

Internal 3D temperature mapping in biological systems using ratiometric light-sheet imaging and lipid-coated upconversion nanothermometers

  • Dannareli Barron-Ortiz,
  • Enric Pérez-Parets,
  • Rubén D. Cadena-Nava,
  • Emilio J. Gualda,
  • Jacob Licea-Rodríguez,
  • Juan Hernández-Cordero,
  • Pablo Loza-Álvarez and
  • Israel Rocha-Mendoza

Beilstein J. Nanotechnol. 2025, 16, 2306–2316, doi:10.3762/bjnano.16.159

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  • phototoxicity [38]. The ladder-like energy level structure of Ln3+ ions enable efficient photon UC of near-infrared (NIR) light, even with moderate excitation intensities (1–103 W·cm−2) attainable with gas-based lamps or continuous wave lasers [39]. Temperature measurements using Ln3+-doped nanomaterials have
  • and particle retention [57]. Figure 5b–d shows the fluorescence emission throughout the intestinal structure post-ingestion, indicating UCNP accumulation within the lumen. This localization is strongly influenced by surface chemistry. The anionic character of our DOPS-rich lipid coating likely leads
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Published 22 Dec 2025

Improving magnetic properties of Mn- and Zn-doped core–shell iron oxide nanoparticles by tuning their size

  • Dounia Louaguef,
  • Ghouti Medjahdi,
  • Sébastien Diliberto,
  • Klaus M. Seemann,
  • Thomas Gries,
  • Joelle Bizeau,
  • Damien Mertz,
  • Eric Gaffet and
  • Halima Alem

Beilstein J. Nanotechnol. 2025, 16, 2285–2295, doi:10.3762/bjnano.16.157

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  • , we report on the synthesis of polyhedral core–shell SPIONs. Their size was tuned to improve their magnetic properties. Furthermore, by hybridizing into a core–shell inorganic/inorganic structure, the nanoparticles can achieve significantly improved magnetic-to-thermal energy conversion efficiency (at
  • while expecting good biocompatibility. The use of size-controlled synthesis enables the exploration of size-dependent magnetic properties, while the direct characterization of the core–shell structure using Fourier-transform infrared spectroscopy (FTIR) and high-resolution transmission electron
  • indexed to the (222), (400), (111), and (311) planes of a spinel-type structure, in agreement with the X-ray diffraction (XRD) data (Figure S1, Supporting Information File 1). The presence of the (222) reflection, which is forbidden in XRD for a perfect spinel () due to structure factor constraints, can
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Published 15 Dec 2025

Visualizing nanostructures in supramolecular hydrogels: a correlative study using confocal and cryogenic scanning electron microscopy

  • Shaun M. Smith,
  • Ferdinando Malagreca,
  • Jacqueline Hicks,
  • Giuseppe Mantovani,
  • David B. Amabilino,
  • Christopher Parmenter and
  • Lluïsa Pérez-García

Beilstein J. Nanotechnol. 2025, 16, 2274–2284, doi:10.3762/bjnano.16.156

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  • ; microscopies; nanostructure; supramolecular hydrogel; Introduction Hydrogels, whether based on self-assembling molecules or cross-linked polymers, are useful in fields ranging from tissue engineering to drug delivery and biosensing [1][2][3][4][5]. Their high water content and soft, porous structure make them
  • diketopyrrolopyrrole bis(carboxylic acid) (DPP-BC) (Figure 1), are probed using confocal fluorescence microscopy and cryo-SEM. ZnPc is a water-soluble fluorophore with a conjugated and mainly flat macrocyclic structure, characterized by strong absorption in the red region of the visible spectrum, and has been
  • relies on fluorescence to visualize hydrated gels directly, cryo-SEM provides an electron-based image of frozen desolvated gels. Rapidly freezing the sample (plunge-freezing in liquid nitrogen slush followed by freeze-fracture) preserves its near-native hydrated structure (usually not the case, often ice
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Published 12 Dec 2025

Geometry-controlled engineering of the low-temperature proximity effect in normal metal–superconductor junctions

  • Munisa A. Tomayeva,
  • Vyacheslav D. Neverov,
  • Andrey V. Krasavin,
  • Alexei Vagov and
  • Mihail D. Croitoru

Beilstein J. Nanotechnol. 2025, 16, 2265–2273, doi:10.3762/bjnano.16.155

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  • assumptions such as quasiclassical approximations or linearized gap equations. Our approach thus captures both the microscopic structure of the pairing correlations and the influence of boundary-induced inhomogeneities in a unified framework. We find that the power-law decay of the induced pair amplitude in
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Published 12 Dec 2025

Chiral plasmonic nanostructures fabricated with circularly polarized light

  • Tian Qiao and
  • Ming Lee Tang

Beilstein J. Nanotechnol. 2025, 16, 2245–2264, doi:10.3762/bjnano.16.154

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  • nanoparticles that lack clear structural chirality limit the understanding of structure–property relationships. To increase the structural chirality in metallic chiral nanostructures, we recently developed an approach to control NC surface passivation to achieve higher dissymmetry in the spatial profile for Ag
  • cPNSs synthesized with chiral molecules present [110][111]. This understanding about how CPL dictates chiral structure formation is also applicable to nanofabrication technologies. For example, the chiral EM near field or photoelectron profile can create chiral patterns in photolithography and electron
  • ) measures the interaction between electrons and cPNSs upon laser excitation by mapping the EELS within an electron microscope [135] (Figure 8e). In summary, we have reviewed the nanoscale characterization tools correlating structure to chiroptical activity of PNSs in this section. CD and ORD are handy tools
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Published 08 Dec 2025

Optical bio/chemical sensors for vitamin B12 analysis in food and pharmaceuticals: state of the art, challenges, and future outlooks

  • Seyed Mohammad Taghi Gharibzahedi and
  • Zeynep Altintas

Beilstein J. Nanotechnol. 2025, 16, 2207–2244, doi:10.3762/bjnano.16.153

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  • levels of VB12 in foods and pharmaceuticals is crucial for health management and disease prevention. VB12 is also known as cobalamin due to the presence of a central cobalt ion (Co2+) within the structure of its modified tetrapyrrole ring (Figure 1). A unique feature of the tetrapyrrole-derived ring in
  • symmetrical rings found in heme and chlorophyll [2][11]. The structure of VB12 also includes a nucleotide loop that contains a unique base known as dimethylbenzimidazole (DMB). This nucleotide loop is attached to one of the propionate side chains of the corrin ring via an aminopropanol linker and stretches
  • out below the corrin ring’s plane. This particular arrangement allows the DMB base to act as a secondary ligand for the central cobalt ion (Co2+), playing a crucial role in the molecule’s structural integrity and biological activity. Within the structure of VB12, Co2+ is capable of binding to an upper
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Published 05 Dec 2025

Electromagnetic study of a split-ring resonator metamaterial with cold-electron bolometers

  • Ekaterina A. Matrozova,
  • Alexander V. Chiginev,
  • Leonid S. Revin and
  • Andrey L. Pankratov

Beilstein J. Nanotechnol. 2025, 16, 2199–2206, doi:10.3762/bjnano.16.152

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  • bandwidth. The trade-off between the bandwidth expansion due to miniaturization and the reduction in absorption efficiency determined by the Airy spot size of the coupling lens is investigated. To solve this issue, a simultaneous miniaturization of the size of the entire structure with an increase in the
  • solver of CST MWS in 3D mode. The simulated receiving structure is placed on a 500 μm thick silicon substrate. A 4 mm-diameter silicon hyperhemispherical lens is placed on the rear side of the substrate to efficiently couple the incident radiation into the planar structure. The external signal is
  • of dext = 80 μm and an inner ring diameter of dint = 70 μm. The lattice constant (period) of the metamaterial array is P = 86 μm. The total size of the structure is 424 μm. A large-scale SRR has an outer ring with an external diameter of dext,1 = 80 μm and an internal diameter of dint,1 = 70 μm. The
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Published 05 Dec 2025

Ultrathin water layers on mannosylated gold nanoparticles

  • Maiara A. Iriarte Alonso,
  • Jorge H. Melillo,
  • Silvina Cerveny,
  • Yujin Tong and
  • Alexander M. Bittner

Beilstein J. Nanotechnol. 2025, 16, 2183–2198, doi:10.3762/bjnano.16.151

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  • the alpha level was kept at 0.05. Structures of gold nanoparticles used in this work. (A) PEG AuNPs were obtained in the presence of carboxyl PEG thiol. (B) Dimanno-AuNPs were covered with 50% of dimannoside and 50% of carboxyl PEG thiol. Note that, in (A) and (B), the linear structure of the
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Published 04 Dec 2025

Hartree–Fock interaction in superconducting condensate fractals

  • Edward G. Nikonov,
  • Yajiang Chen,
  • Mauro M. Doria and
  • Arkady A. Shanenko

Beilstein J. Nanotechnol. 2025, 16, 2177–2182, doi:10.3762/bjnano.16.150

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  • –Beenker tilings [23], well-known representations of two-dimensional quasicrystals. Recent studies confirm that the superconducting condensate in quasiperiodic systems possesses a highly nontrivial spatial structure. This finding naturally raises the question of how sensitive the theoretical predictions
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Published 04 Dec 2025

Microplastic pollution in Himalayan lakes: assessment, risks, and sustainable remediation strategies

  • Sameeksha Rawat,
  • S. M. Tauseef and
  • Madhuben Sharma

Beilstein J. Nanotechnol. 2025, 16, 2144–2167, doi:10.3762/bjnano.16.148

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  • influence the food web structure [4]. For instance, a study in Dal Lake recorded MP concentrations of 2450 particles/m2 in sediments and 9.8 particles/L in surface water [11], indicating significant ecological exposure. 3.3 Global comparison with other sensitive aquatic ecosystems Across the globe, MPs have
  • ) spectroscopy is used regularly to identify the chemical structure of MPs [34]. One of the most important developments for nanoplastic detection in complex environmental matrices is micro-FTIR to analyze particles smaller than 10 µm [35]. Raman spectroscopy improves on FTIR by using higher resolution and the
  • is an emerging area. The defects in the crystal structure of nanomaterials trap light energy and enhance the production of ROS. According to Kim and Youn, these developments are essential to address the robustness and effectiveness of photocatalysts in a variety of environmental conditions [77]. 6.2
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Published 25 Nov 2025

Electron transport through nanoscale multilayer graphene and hexagonal boron nitride junctions

  • Aleksandar Staykov and
  • Takaya Fujisaki

Beilstein J. Nanotechnol. 2025, 16, 2132–2143, doi:10.3762/bjnano.16.147

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  • defects are results of C–C bond rotation in the graphene plane, which isomerizes a 6–6 ring structure to a 7–5 ring structure. Stone–Wales defects are commonly observed in multilayer graphene, graphite, graphene oxide, and their occurrence is temperature-dependent [15][16]. Hexagonal boron nitride (h-BN
  • ) is a material that shares many structural and electronic properties with graphite. It is isoelectronic to graphene with N contributing two electrons to the π-conjugated bond and B contributing zero electrons, as opposed to graphene, where each C atom contributes one electron. The h-BN structure is
  • h-BN with Stone–Wales defect. For graphite and bulk h-BN, we adopt a graphite unit cell with A–B stacking consisting of two layers and two atoms per layer. We perform geometry optimization, density of states (DOS) calculations, and band structure calculations. For graphite and h-BN with Stone–Wales
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Published 24 Nov 2025
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