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Search for "model" in Full Text gives 1650 result(s) in Beilstein Journal of Nanotechnology. Showing first 200.

Superconducting artificial neural networks and quantum circuits

  • Anatolie S. Sidorenko

Beilstein J. Nanotechnol. 2026, 17, 744–747, doi:10.3762/bjnano.17.51

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  • models fully connected and recurrent neural networks and integrates one million model neurons and 256 million synaptic connections [4]. For solving more complex computational tasks that require substantial processing power, a critical challenge arises: the need for a radical reduction in energy
  • is a time-consuming process. To reduce the number of costly technological iterations, modelling of technological processes is essential for predicting the properties of prepared layers and multilayers. Smart computational experiments based on a mathematical model describing coordinated atomic motion
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Published 08 Jun 2026

Environmental applications of silver nanoparticles: state-of-the-art review and emerging trends

  • Soni Prajapati,
  • Akash Kumar and
  • Ranjana Singh

Beilstein J. Nanotechnol. 2026, 17, 697–736, doi:10.3762/bjnano.17.49

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  • safety evaluation. Nanosilver coated with tannic acid significantly inhibits adenovirus type 3 (Ad3) in HeLa cells, serving as a model system [78]. The inhibition mechanism involves structural and DNA damage to Ad3 [78]. Another study assessed the dose- and size-dependent antiviral effects of AgNPs
  • stabilized AgNPs from Astragalus ecbatanus treated Giardia lamblia infection in vitro and in vivo model systems [84]. The study found that AgNPs killed cysts at 200 and 300 μg/mL after 4 and 2 h, respectively, whereas trophozoite reduction was observed at 100, 200, and 300 μg/mL after 4, 2, and 1 h
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Published 26 May 2026

Molecular engineering of individual dye-based nanoparticle photostability for ultrabright two-photon fluorescence

  • Eleonore Kurek,
  • Sasha Cooper,
  • Alexandre Clausolles,
  • Karen Perronet,
  • Jonathan Daniel,
  • Mireille Blanchard-Desce and
  • François Marquier

Beilstein J. Nanotechnol. 2026, 17, 688–696, doi:10.3762/bjnano.17.48

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  • expression can be derived for each nanoparticle type using the developed model (see Experimental section for the derivation and estimated values of the parameters): From the values of Psat, we find values of α2σ2 of 710 and 7580 GM for dFONs(1) and dFONs(2), respectively. These values have to be compared to
  • counting module (SPCM AQRH-13, Picoquant). Two additional filters (FF01-842/SP25 and FF01-945/SP25, Semrock) were added to remove residual laser light. The combination of all the filters leads to the collection of approximately 80% of the fluorescence for both nanoparticle families. Emission model
  • duration of the sech2 function describing the real pulse, the rectangular model has a δt = 2τ to get the same integral value over time. The excitation rate Γexc during the pulse can be expressed as a function of the average power Pexc, the two-photon absorption cross section σ2, and the waist of the
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Published 22 May 2026

Decontamination from water pollutants and pathogens by electrospun nanofibers doped with heavy-atom-free borafluorene-BODIPY photosensitizers

  • Angelika Zaszczyńska,
  • Paulina H. Marek-Urban,
  • Karolina Wrochna,
  • Agnieszka E. Kuklewska,
  • Kacper Kręgielewski,
  • Marta Grodzik,
  • Dawid R. Natkowski,
  • Jolanta Mierzejewska,
  • Ewa Iwanek,
  • Agata Blacha-Grzechnik,
  • Paweł Sajkiewicz and
  • Krzysztof Durka

Beilstein J. Nanotechnol. 2026, 17, 668–682, doi:10.3762/bjnano.17.46

Graphical Abstract
  • photocatalyst for the degradation of the pharmaceutical agents ranitidine, propranolol, and cimetidine, selected as model water pollutants. The obtained nanofibers showed smooth and uniform morphology along with very high durability and resistance toward oxidation, remaining active even after 20 reaction cycles
  • between perpendicularly oriented donor and acceptor units [36][37][38][39]. In the current study, we investigate the borafluorene-based BODIPY 1 (Figure 1a) as a model heavy-atom-free photosensitizer for deactivating water pollutants and pathogens. Our major goal was to develop a suitable polymeric
  • step, we tested the photocatalytic activity of the prepared samples with cimetidine as a model water pollutant. Small pieces of materials were placed in 4 mL vials containing a 3.0 mM water solution of cimetidine. The mass of the material was ca. 0.011 g, which roughly corresponds to 0.02 equivalents
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Published 20 May 2026

afspm: A framework for manufacturer-agnostic automation in scanning probe microscopy

  • Nicholas J. Sullivan,
  • Julio J. Valdés,
  • Kirk H. Bevan and
  • Peter Grutter

Beilstein J. Nanotechnol. 2026, 17, 653–667, doi:10.3762/bjnano.17.45

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  • classified surface structure, detecting atoms [5], molecules [6], or defects of interest [7][8]. Even the design of experiments has been researched, using statistics to drive decisions during the experiment [9][10][11][12]. Active learning, where a machine learning algorithm’s internal model is updated
  • during the experiment, has been used in SPM for 2D scan efficiency [10] as well as in SPM spectroscopy [11]. Furthermore, investigators have used hypothesis learning, where a model chooses between a number of hypotheses by testing them during the experiment [12]. As an example of a complete autonomous
  • , the Bluesky data model may serve as a useful approach for organizing experimental data and metadata for later search and retrieval. The development of automated tasks within a manufacturer-agnostic framework enables code sharing among the SPM community. This framework is a reasonable first step toward
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Published 18 May 2026

Two-step laser synthesis of Ag@TiO2 nanomaterials for the photocatalytic degradation of rhodamine B

  • Marija Kovačević,
  • Miloš Tošić,
  • Rafaela Radičić,
  • Vladimir Rajić,
  • Nikša Krstulović,
  • Miloš Momčilović and
  • Sanja Živković

Beilstein J. Nanotechnol. 2026, 17, 622–634, doi:10.3762/bjnano.17.43

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  • . These absorption spectra showed that, in contrast to TiO2, Ag@TiO2 samples showed broadening of the absorption peak due to the addition of Ag. The optical bandgap energy of the prepared samples was calculated with the Tauc model, according to Equation 1: where α is the absorption coefficient, hν is the
  • irradiation time with the distinctive absorption peak of RhB at around 553 nm [29]. The photocatalytic capabilities of the synthesized materials were assessed by examining their capacity to degrade a 5 ppm aqueous solution of RhB, utilized as a model organic pollutant, for a time period of 300 min (Figure 8c
  • indicate that the correlation coefficient for the pseudo-second order kinetic model exceeds that of the pseudo-first order kinetic model for the Ag@TiO2 200p NPs sample. This suggests that the kinetic behavior of the photocatalytic process in the degradation of RhB can be rather described by the pseudo
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Published 11 May 2026

Probing tribological evolution in atomically thin MoS2 at different scales

  • Xingzhong Zeng and
  • Miao Zhang

Beilstein J. Nanotechnol. 2026, 17, 586–597, doi:10.3762/bjnano.17.40

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  • inertness [13][14][15]. Molybdenum disulfide (MoS2) as a representative 2D materials is particularly promising because of its trilayered structure (one Mo layer sandwiched between two S layers) and tunable interlayer interactions, making it a model system for investigating the nanoscale and sub-nanoscale
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Published 06 May 2026

Laser–material interactions in liquids for the synthesis of nanomaterials: current status and perspectives

  • Carlos Doñate Buendia,
  • Bilal Gökce and
  • Leonid V. Zhigilei

Beilstein J. Nanotechnol. 2026, 17, 571–575, doi:10.3762/bjnano.17.38

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  • ]. The complexity of LSPC processes and the wide parameter space call for close integration of computational and experimental efforts, where coordinated design of real and in silico experiments can significantly enhance opportunities for model validation and reliable interpretation of experimental data
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Published 04 May 2026

Synthesis of Cu–Mo/TiO2 and Co–Mo/TiO2 photocatalysts for the efficient degradation of organic pollutants in water

  • Ilse Acosta,
  • Brenda Zermeño,
  • Edgar Moctezuma,
  • Luis F. Garay-Rodríguez and
  • Isaías Juárez-Ramírez

Beilstein J. Nanotechnol. 2026, 17, 559–570, doi:10.3762/bjnano.17.37

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  • previously studied and reported [23][24]. We chose this medicine as a model molecule since this non-steroidal anti-inflammatory drug is of great environmental relevance as it has been detected in several aquatic bodies. Results and Discussion Structural characterization Figure 1a shows the diffraction
  • products within 90 min of reaction when pure TiO2 is used, whereas the conversion is achieved in 60 min with the most efficient photocatalyst, 0.2 Cu–0.5 Mo/TiO2. Numerous investigations have demonstrated that the photodegradation of organic pollutants follows a pseudo-first-order kinetic model [42][43
  • consisted of a mixture of acetonitrile and water 60:40 (v/v) acidified with 1% of acetic acid. The TOC content in these samples was measured with a Shimadzu carbon analyzer model 5000A. Photolysis experiments and degradation pathways were studied in previous works and already reported [23][24]. (a) XRD
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Published 27 Apr 2026

Fractional shot noise of an SU(N) Kondo system

  • Damian Krychowski and
  • Stanisław Lipiński

Beilstein J. Nanotechnol. 2026, 17, 515–540, doi:10.3762/bjnano.17.34

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  • dot (N-QD) in the Kondo regime. Using the Kotliar–Ruckentein slave boson approach (SBMFA) for an N-level Anderson model, we define effectively noninteracting quasiparticles of the SU(N) Kondo system (N = 2, 3, 4, 5, 6). Kondo resonance transmission coefficients determine linear noise describing
  • of the Kondo effect is to incorporate higher-rank SU(N) symmetries (N > 2). The first SU(N) generalizations of the Anderson model appeared in the literature on heavy fermion systems [36], where large N expansion proved to be a powerful approximation for describing magnetic atoms with orbital
  • degeneracy. From the perspective of potential applications, it is important that the Anderson SU(N) model can be realized in a controlled way in various nanoscopic structures [37][38] and in correlated cold atomic gases [39][40]. A proposal of the SU(6) Kondo effect for a QD structure can be found in [39
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Published 14 Apr 2026

Probing internal continua and atomic ultrafast charge transfer within size-controlled nanoparticles by post-collision interaction in core-hole clock spectroscopy

  • Johannes Lütgert,
  • Erika Giangrisostomi,
  • Nomi L. A. N. Sorgenfrei and
  • Alexander Föhlisch

Beilstein J. Nanotechnol. 2026, 17, 505–514, doi:10.3762/bjnano.17.33

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  • the existence of a faster charge transfer channel toward the CdSe core, only accessible for the inner-most shell layers, rather than a quantum confinement effect. By extending the traditional PCI model from free-electron systems to bound-state continua, we further establish a framework for
  •  1b, yields the charge transfer time in relation to the core-hole lifetime based on a model of independent exponential decay [20][21]. The validity and capabilities of the CHC approach was demonstrated across various sample systems, including gas adsorbates on surfaces [22][23], two-dimensional
  • obtained by fitting the resonant Auger spectra at the individual photon energies (see Supporting Information File 1, section 5, for detailed fitting procedure and model). Multiplying this ratio with the core-hole lifetime yields the charge transfer times presented in Figure 2a. To provide for a better
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Published 07 Apr 2026

Defects and defect-mediated engineering of two-dimensional materials: challenges and open questions

  • Arkady V. Krasheninnikov,
  • Matthias Batzill,
  • Anouar-Akacha Delenda,
  • Marija Drndić,
  • Chris Ewels,
  • Katharina J. Franke,
  • Mahdi Ghorbani-Asl,
  • Alexander Holleitner,
  • Ado Jorio,
  • Ute Kaiser,
  • Daria Kieczka,
  • Hannu-Pekka Komsa,
  • Jani Kotakoski,
  • Manuel Längle,
  • David Lamprecht,
  • Yun Liu,
  • Steven G. Louie,
  • Janina Maultzsch,
  • Thomas Michely,
  • Katherine Milton,
  • Anna Niggas,
  • Hanako Okuno,
  • Joshua A. Robinson,
  • Marika Schleberger,
  • Bruno Schuler,
  • Alexander Shluger,
  • Kazu Suenaga,
  • Kristian S. Thygesen,
  • Richard A. Wilhelm,
  • E. Harriet Åhlgren and
  • Carla Bittencourt

Beilstein J. Nanotechnol. 2026, 17, 454–488, doi:10.3762/bjnano.17.31

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  • system can have zero-dimensional (0D) defects and one-dimensional (1D) defects. 0D are point defects, like a vacancy or a substitutional atom, while 1D are line defects, like crystallite borders or mirror twin boundaries. Based on the geometrical model introduced in [81], it was possible to determine a
  • ), mostly for pristine materials, but in a few cases also with defects [94][115]. In order to model Raman scattering, a model for the response of the material to incoming light is required. In the non-resonant case, Raman scattering is allowed when the atomic displacement of a vibrational mode leads to a
  • polarizations of the incoming and the scattered light. In addition, first-principles calculations of polarizability are significantly more demanding than those of total energy, which is especially true for large systems with defects; this can limit the collection of training data. Finally, training a model for
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Published 31 Mar 2026

Nanocarrier-integrated multilayer films produced by 3D printing for improved skin adhesion and curcumin photostability

  • Thayse Viana de Oliveira,
  • Ana Paula Farias Leão,
  • Júlia Leão,
  • Cesar Liberato Petzhold and
  • Ruy Carlos Ruver Beck

Beilstein J. Nanotechnol. 2026, 17, 440–453, doi:10.3762/bjnano.17.30

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  • inhibiting MRSA growth in vivo in a murine wound model [21]. More recently, Terzopoulou et al. developed collagen patches containing chitosan nanoparticles loaded with curcumin, which showed efficacy against psoriasis in in vitro assays [22]. Similarly, Olmos-Juste et al. employed 3D printing to produce
  • tangent (tan δ), were measured using an oscillatory frequency sweep over an angular frequency range of 1–600 rad/s at a constant strain of 0.5%. Flow behaviour was assessed using a shear rate ramp from 0.1 to 1.0 s−1 and subsequently from 1.0 to 0.1 s−1, in order to determine the best-fit flow model for
  • generated model and, using a syringe fitted with a nozzle with a diameter of 0.41 mm, deposited the material layer by layer at room temperature. The printing parameters were set to a rectilinear infill pattern with 100% infill density and an extrusion speed of 6 mm/s. After printing, the films were dried at
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Published 25 Mar 2026
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  • ductility in terms of elastic moduli. Subsequently, the orientation-dependent Young’s moduli of Cu and (Cu1−xNix)3Sn were calculated. Finally, tensile modulus, ultimate tensile stress, work of adhesion, and interfacial toughness of (Cu1−xNix)3Sn/Cu were calculated based the interface model with the
  • efficiency without losing the accuracy by reducing the model size of the alloy systems. Considering the phase stability of (CuxNi1−x)3Sn [22], the content of Ni was set within the range from 0 to 30 atom %. As far as the calculations of the structure optimizations and elastic properties are concerned, a
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Published 19 Mar 2026

Nanoinformatics: spanning scales, systems and solutions

  • Iseult Lynch,
  • Diego S. T. Martinez,
  • Kunal Roy and
  • Georgia Melagraki

Beilstein J. Nanotechnol. 2026, 17, 423–427, doi:10.3762/bjnano.17.28

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  • are challenging to experimentally measure. Using computational descriptors commonly used in nano-QSAR models, such as the potential energy of surface atoms and the water–NP surface energy, the model predicts that Pt NPs are more toxic than Au NPs, based on their surface properties, which drive
  • reactivity [3]. Amini et al. combined atomistic molecular dynamics, a coarse-grained model of protein adsorption, and kinetic Monte Carlo simulations to predict the protein corona composition formed on aluminium surfaces with different crystal faces, (i.e., (100), (110), and (111)) from a simplified model of
  • milk consisting of the six most abundant milk proteins found in natural cow milk and lactose, the most abundant sugar found in dairy products, based on their corresponding interaction strengths. The resulting freely accessible multiscale computational model enables predictions of the binding strength
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Published 05 Mar 2026

Biomimetic nanoparticles in cancer photodynamic therapy: a review of targeted delivery systems and therapeutic outcomes

  • Valentina I. Gorbacheva,
  • Alexey S. Grabovoy,
  • Polina S. Marukhina,
  • Anastasiia O. Syrocheva and
  • Ekaterina P. Kolesova

Beilstein J. Nanotechnol. 2026, 17, 396–422, doi:10.3762/bjnano.17.27

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  • genetically engineered HEK-293 cell line expressing synthetic SpyCatcher proteins was used to coat NPs, enabling targeted binding to both tumor cells and viral particles. Treatment with these nanoparticles in a mouse model of ovarian cancer suppressed tumor growth and improved survival outcomes [113]. For the
  • demonstrated that the biomimetic membrane coating reduced macrophage-mediated clearance of the nanoparticles to a half, while maintaining efficient uptake by HeLa cells and preserving phototoxicity upon NIR irradiation. In vivo experiments in a CT-26 tumor mouse model showed that membrane-coated nanoparticles
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Published 05 Mar 2026

Eco-efficient materials for agricultural crops based on a mineral rich in MOR- and HEU-type zeolites

  • Esperanza Yamile de la Nuez-Pantoja,
  • Inocente Rodríguez-Iznaga,
  • Gerardo Rodríguez-Fuentes,
  • Vitalii Petranovskii,
  • Ariel Martínez García,
  • José Juan Calvino Gámez and
  • Daniel Goma Jiménez

Beilstein J. Nanotechnol. 2026, 17, 381–395, doi:10.3762/bjnano.17.26

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  • model CHNS-932 was used, for which 6 mg of sample were used, dried before at 60 °C and pulverized in a mortar. For the determination of N content by Kjeldahl, samples were dissolved by hydrothermal treatments with HF, HClO4, and HCl, followed by a procedure similar to that described in [15]. In addition
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Published 26 Feb 2026

Ferroelectric nanodot reservoir for neuromorphic computing

  • Anna Razumnaya,
  • Yuri Tikhonov,
  • Dmitrii Naidenko,
  • Léo Boron,
  • Valerii Vinokur and
  • Igor Lukyanchuk

Beilstein J. Nanotechnol. 2026, 17, 352–364, doi:10.3762/bjnano.17.24

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  • polarization dynamics across nanodots. The total electrostatic energy of the reservoir system becomes: Here, the system assumes the form of a frustrated Ising model with long-range antiferromagnetic interactions. The first term describes interactions between all pairs of sites via: The second term captures the
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Published 20 Feb 2026

Calculation of the dynamic stiffness of a cantilever under torsional oscillation

  • Keita Nishida,
  • Yuuki Yasui and
  • Yoshiaki Sugimoto

Beilstein J. Nanotechnol. 2026, 17, 303–308, doi:10.3762/bjnano.17.21

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  • underlying deformation mechanism. Here, we calculated the dynamic stiffness of cantilevers with tips in torsional oscillation using the equivalent spring-moment of inertia model. Then we found that the dynamic stiffness should be modified by 21–23% when the tip is considered. Dissipated energy is derived
  • from the excitation amplitude through a proportionality coefficient that depends on the dynamic stiffness [21]. Thus, the present correction for the dynamic stiffness should be adopted for friction analyses with torsional oscillations in nc-AFM. Model We consider a cantilever with the dimensions length
  • the deduced moment of inertia. The oscillator is modelled as an equivalent spring-moment of inertia model [22][24], and the static stiffness and the dynamic stiffness under torsional oscillation are calculated. The equation of motion of the oscillator under the torsional oscillation is given by where
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Published 13 Feb 2026

Fast vortex dynamics and relaxation times in NbRe-based heterostructures

  • Francesco De Chiara,
  • Zahra Makhdoumi Kakhaki,
  • Francesco Avitabile,
  • Francesco Colangelo,
  • Abhishek Kumar,
  • Carmine Attanasio and
  • Carla Cirillo

Beilstein J. Nanotechnol. 2026, 17, 292–302, doi:10.3762/bjnano.17.20

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  • superconducting coherence. This phenomenon, known as flux-flow instability (FFI), depends on several factors such as structural disorder and defects [3], pinning mechanisms [4][5], thermal effects [6], and sample geometry [7]. FFI is effectively described by the Larkin–Ovchinnikov (LO) model [8], which relates
  • assumptions underlying the LO model remain valid and the deduced relaxation time can be regarded as an intrinsic property of the superconducting system [1]. Experimentally, biasing a superconducting strip with a current I, leads, in the flux flow regime, to the appearance of a jump to normal state at an
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Published 12 Feb 2026

Advancing nanolithography: a comprehensive review of materials for local anodic oxidation with AFM

  • Matteo Lorenzoni

Beilstein J. Nanotechnol. 2026, 17, 275–291, doi:10.3762/bjnano.17.19

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  • authors agree with an oxidation kinetic consistent with the Cabrera–Mott model [44][45]. As an electrochemical process, LAO is inherently current-dependent. Early studies showed that oxide growth evolves from an initial electronic tunneling regime to ionic transport as the film develops [46]. Dagata and
  • thickness, and voltage, following the Cabrera–Mott model. This clean, precise approach highlights LAO’s potential for photonic and nanoelectronics applications, aligning with advances in LAO research. 2.5.3 Two-dimensional materials. 2D materials are at the forefront of LAO research, owing to their
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Published 09 Feb 2026

Multilayered hyperbolic Au/TiO2 nanostructures for enhancing the nonlinear response around the epsilon-near-zero point

  • Fernando Arturo Araiza-Sixtos,
  • Mauricio Gomez-Robles,
  • Rafael Salas-Montiel and
  • Raúl Rangel-Rojo

Beilstein J. Nanotechnol. 2026, 17, 251–261, doi:10.3762/bjnano.17.17

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  • followed by a postfocal maximum, albeit somehow deformed. This deformation is due to the complicated nonlinear absorption observed in the OA z-scan. In order to model the response, we used the approach found in [31], where the CA z-scan trace shows effects of both nonlinear absorption and refraction: where
  • S is the aperture transmittance, I0 is the peak irradiance, and is the effective length. Setting S = 1, we are left with ΔΨ0, which is related only to nonlinear absorption effects, and we can then model the fit for the OA z-scan results. For the CA z-scan, we set S = 0.5 (from experiment), and we
  • describe both effects. Substituting in Equation 6, we are now able to model the effect of both nonlinear absorption effects. Then, for each different sample, we must find a set of constants β+, β−, , and that can be used to fit every z-scan data set obtained at different I0 values. Figure 5 shows the fits
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Published 05 Feb 2026

Comparative study on 3D morphologies of delignified, single tracheids and fibers of five wood species

  • Helen Gorges,
  • Felicitas von Usslar,
  • Cordt Zollfrank,
  • Silja Flenner,
  • Imke Greving,
  • Martin Müller,
  • Clemens F. Schaber,
  • Chuchu Li and
  • Stanislav N. Gorb

Beilstein J. Nanotechnol. 2026, 17, 239–250, doi:10.3762/bjnano.17.16

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  • 6.0.1 software (FEI SAS, Lyon, France). The segmented data were further processed in Blender software (Blender Foundation, Amsterdam, Netherlands, https://www.blender.org). Additional interactive 3D models of two samples for each species are available online with links for each model in Supporting
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Published 04 Feb 2026

Gold nanoparticle-decorated reduced graphene oxide as a highly effective catalyst for the selective α,β-dehydrogenation of N-alkyl-4-piperidones

  • Brenda Flore Kenyim,
  • Mihir Tzalis,
  • Marilyn Kaul,
  • Robert Oestreich,
  • Aysenur Limon,
  • Chancellin Pecheu Nkepdep and
  • Christoph Janiak

Beilstein J. Nanotechnol. 2026, 17, 218–238, doi:10.3762/bjnano.17.15

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  • size, stabilized by SiW9, and supported on the three-carbon materials AC, rGO, and CB by the RD and DP methods were synthesized as depicted in Figure 1. To assess the influence of the preparation methods and the type of the carbon supports, the catalytic activity was evaluated using the model reaction
  • -, and N-benzyl-4-piperidone to the respective N-methyl-2,3-dihydropyridin-4(1H)-ones as a model reaction (Scheme 1). This transformation is an example of the synthesis of β-N-substituted α,β-unsaturated ketones and requires catalysts with strong oxidizing capabilities, such as gold-based catalysts. The
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Published 30 Jan 2026

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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  • ] provided insights into biological plant materials combining experiments with simulations that provide inspiration for biomimetic actuators. For animals, Jain et al. [20] applied a multiscale computational model to gain detailed insights into the molecular and mechanical behavior of gecko setae during
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Published 28 Jan 2026
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