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

• Recherche et de l’Innovation, France (ECOS Nord M19P01), and NANO-PHOT Ecole Universitaire de Recherche, France (ANR-EURE-0013). Allocations Doctorales Région Grand Est, France (Qsim). We conducted the calculations with the resources of the French regional Grand-Est HPC Center ROMEO.

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

• 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

• ) calculations were employed to model possible supramolecular architectures, allowing us to explore the correlation between thermally induced optical responses and the underlying molecular-level organization. Results and Discussion Experimental results Temperature dependence of absorption spectra Absorption

• the PAZO polymer with a relatively accurate but computationally expensive method (DFT calculations), models of a fragment of the polymer main chain with four side chains were considered (Figure 7). PAZO is a polymer with ionized end groups and the orientation of PAZO chromophores is highly dependent

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

• . Details of neurons decomposition and inductance calculations are given in Appendix B. The fabrication process was the same as described above. All inductive arms of the neurons were formed in the M2 layer, while the control line and the loop of the readout SQUID lied mostly in the M3 layer. Thus, when

• primary subject of this article is the detailed verification of 3D-MLSI software tool. The main task of this inductance extractor is an evaluation of two-terminal partial inductances [48] associated with equivalent scheme ones. The general mathematical model for all superconductor inductance calculations

• total time and memory needed for calculations. In practice, the O(N2) part can be comparable with the O(N3) solution time for moderate N values. Advanced matrix compression methods can be implemented in future versions to be used for dense multilayered schemes of large sizes. A good agreement with the

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

• /bjnano.17.5 Abstract We present a comprehensive microscopic study of the intermediate mixed state in superconductors of the intertype (IT) regime separating types I and II. Using fully self-consistent Bogoliubov–de Gennes calculations for a lattice model, we analyze few-vortex configurations across the

• entire temperature range 0 < T < Tc. Our results demonstrate the key features of IT superconductivity, namely, nonmonotonic vortex interactions and formation of vortex clusters. Using results of the calculations, we construct a “temperature–coupling” phase diagram that delineates distinct superconducting

• microscopic foundation for the IT superconductivity and extend its description beyond the vicinity of the critical temperature. Keywords: Bogoliubov–de Gennes equations; intertype regime; microscopic calculations; superconductivity; vortices in superconductors; Introduction The magnetic response of

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

• (a) corresponds to γB1 = γB2 = 0.5, (b) γB1 = γB2 = 0.4, (c) γB1 = γB2 = 0.3, and (d) γB1 = γB2 = 0.2. Funding The analytical calculations were supported by MIPT via the project FSMG-2023-0014. The numerical calculations were supported by the megagrant of the Ministry of Science and Higher Education

Terahertz-range on-chip local oscillator based on Josephson junction arrays for superconducting quantum-limited receivers

• Fedor V. Khan,
• Lyudmila V. Filippenko,
• Andrey B. Ermakov,
• Mikhail Yu. Fominsky and
• Valery P. Koshelets

Beilstein J. Nanotechnol. 2025, 16, 2296–2305, doi:10.3762/bjnano.16.158

• fabrication technology of the samples. In the second we describe the measurement setup and methodology. After that we present the results of the measurements with the calculations and simulation. Finally, we discuss the feasibility of the LO based on JJ arrays of the proposed topology. Experimental Samples

• to the fact that not all of the junctions in the array are synchronized [50]. Results and Discussion Operation frequency band of the samples We performed numerical calculations in order to design the coupling circuits between the JJ array and the SIS mixer. The calculation methods for the

• London penetration depth [18][53]. The experimental results for the S21 coefficient of the 300–550 GHz and 500–700 GHz matching circuits and the calculations are shown in Figure 6a and Figure 6b, respectively. The experimental values of Ipump are normalized to Ig. However, the experiment shows a

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

• ][28]. However, at low or zero temperatures, self-consistent Bogoliubov–de Gennes calculations show that the decay is no longer exponential. In the ballistic regime, the pair amplitude instead follows a power-law decay [7][29][30][31][32], where ξ is the proximity length. The exponent α depends on the

• control the proximity effect. This geometric degree of freedom provides a novel route for engineering and optimizing the performance of superconducting hybrid devices. Results and Discussion Model We perform the calculations on a system described by the two-dimensional Hubbard model, defined through the

• quasi-1D superconducting wire (which can only exist for moderate |η| due to fluctuations) immersed in the NM, essentially a “superconducting wire in a normal sea” [55][56]. Representative configurations for different η values used in subsequent calculations are schematically illustrated by white dashed

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

• units of tB). Our calculations are performed away from the half-filling as this regime was shown to produce a uniform electronic distribution in Fibonacci chains [22], where the HF potential does not alter superconducting properties. Here, we adopt an electron density of ne = 0.5. Our qualitative

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

• ) method combined with density functional theory (DFT) to compare electron transport through several layers of nanoscale graphene and hexagonal boron nitride (h-BN). Calculations were performed for one to six layers, corresponding to thicknesses of 0.5–3.0 nm, respectively. Electron transport was computed

• [22]. The electron tunneling through ultrathin h-BN crystalline barriers was investigated recently with experimental techniques showing exponential decay of the current with the number of layers [23]. Accurate density functional theory (DFT) calculations demonstrated the bandgap change in one to eight

• All calculations in this study are performed with NEGF combined with LCAO DFT as implemented in the QantumWise ATK software package [29]. We use the Perdew–Burke–Ernzerhof (PBE) functional [30] combined with the Fritz-Haber-Institut (FHI) pseudopotentials. A single-zeta polarized basis set was used

Molecular and mechanical insights into gecko seta adhesion: multiscale simulations combining molecular dynamics and the finite element method

• Yash Jain,
• Saeed Norouzi,
• Tobias Materzok,
• Stanislav N. Gorb and
• Florian Müller-Plathe

Beilstein J. Nanotechnol. 2025, 16, 2055–2076, doi:10.3762/bjnano.16.141

• orientations with their substrates were simulated in 16 parallel MD calculations. The skeleton of our multiscale seta was created by distributing branching points along two parabolas (Figure 3) as described by Sauer and colleagues [21]. Figure 3 illustrates the construction of the seta FE mesh. The seta was

• element mesh with nodes, is the continuum domain; and the overlapping grey region, which includes coupling components such as anchor points (APs) and harmonic springs, is the bridging domain. Calculations alternate between MD and FEM. The finite element mesh and anchor points (see subsection “Anchor

The cement of the tube-dwelling polychaete Sabellaria alveolata: a complex composite adhesive material

• Emilie Duthoo,
• Aurélie Lambert,
• Pierre Becker,
• Carla Pugliese,
• Jean-Marc Baele,
• Arnaud Delfairière,
• Matthew J. Harrington and
• Patrick Flammang

Beilstein J. Nanotechnol. 2025, 16, 1998–2014, doi:10.3762/bjnano.16.138

• well as their high phosphorus content [9]. In S. alveolata, TEM revealed an identical lamellar structure between inclusions and spheroids. The link between these two structures is also corroborated by simple volume calculations (i.e., the volume of the largest inclusions equals the volume of the cortex

Mechanical property measurements enabled by short-term Fourier-transform of atomic force microscopy thermal deflection analysis

• Thomas Mathias,
• Roland Bennewitz and
• Philip Egberts

Beilstein J. Nanotechnol. 2025, 16, 1952–1962, doi:10.3762/bjnano.16.136

• damping from the ambient environment is not accounted for in Equation 1 and may also be responsible for a small percentage of the difference between the two calculations of the spring constants. However, our results highlight that the measurement of the cantilever’s plan-view dimensions and using these

• dimensions in the determination of the Sader spring constant or other calculations of the normal spring constant are important. Finally, it has been demonstrated that the Sader method can consistently show a difference compared with the thermal noise method used above, particularly for soft cantilevers as

• used in this study [25]. We take the Sader spring constant, which has been widely used in other studies and is less sensitive to variations in the calculated cantilever sensitivity [25], as the spring constant of all cantilevers in the calculations in subsequent sections of this manuscript. Figure 2d

Further insights into the thermodynamics of linear carbon chains for temperatures ranging from 13 to 300 K

• Alexandre Rocha Paschoal,
• Thiago Alves de Moura,
• Juan S. Rodríguez-Hernández,
• Carlos William de Araujo Paschoal,
• Yoong Ahm Kim,
• Morinobu Endo and
• Paulo T. Araujo

Beilstein J. Nanotechnol. 2025, 16, 1818–1825, doi:10.3762/bjnano.16.125

• data. The inset shows a representative case at T = 700 K for , as discussed in the text and in [30]. Supporting Information Supporting Information File 12: Additional figures and calculations. Funding This material is based upon work supported by the National Science Foundation under Grant No

Multifunctional anionic nanoemulsion with linseed oil and lecithin: a preliminary approach for dry eye disease

• Niédja Fittipaldi Vasconcelos,
• Almerinda Agrelli,
• Rayane Cristine Santos da Silva,
• Carina Lucena Mendes-Marques,
• Isabel Renata de Souza Arruda,
• Priscilla Stela Santana de Oliveira,
• Mércia Liane de Oliveira and
• Giovanna Machado

Beilstein J. Nanotechnol. 2025, 16, 1711–1733, doi:10.3762/bjnano.16.120

• determined by electrophoretic mobility using the same instrument at 25 °C. Calculations were based on the Smoluchowski model. All measurements were performed in triplicate and expressed as mean ± standard deviation. pH Value The pH value of the pre-formulation and nanoformulations was measured using a

Ambient pressure XPS at MAX IV

• Mattia Scardamaglia,
• Ulrike Küst,
• Alexander Klyushin,
• Rosemary Jones,
• Jan Knudsen,
• Robert Temperton,
• Andrey Shavorskiy and
• Esko Kokkonen

Beilstein J. Nanotechnol. 2025, 16, 1677–1694, doi:10.3762/bjnano.16.118

• = 660 eV) core levels corresponding to the same conditions as in (a); red vertical lines indicate the binding energies obtained for the optimized O2H–H2O complex on CoTPyP/GR from ab initio DFT calculations for different O 1s core levels, as labeled in (e): 1 − physisorbed/ wetting water, 2 − OOH, 3

Energy spectrum and quantum phase transition of the coupled single spin and an infinitely coordinated Ising chain

• Seidali Seidov,
• Natalia Pugach and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1668–1676, doi:10.3762/bjnano.16.117

• and off-diagonal, so its contribution will be of fourth order in . Thus, up to the second order in , the energy E of the whole system is defined by the following equation: from which follows Also, from these calculations follows that the eigenstates are . One might wonder why there is no contribution

• = 0 extremum is a minimum in the θ direction, and the second derivative of ε+(θ,φ) with respect to θ is positive. Otherwise, the said extremum is a maximum and the stable phase is the broken symmetry one. When carrying out the calculations, we should choose the θ = π solution of the equation sinθ = 0

• calculations. In Figure 5, the phase diagram, obtained numerically, is presented on the plane for fixed values of the rest of the parameters. Results and Discussion We have theoretically studied the infinitely coordinated Ising chain, coupled to a single external spin. We have written down the effective

Modeling magnetic properties of cobalt nanofilms used as a component of spin hybrid superconductor–ferromagnetic structures

• Aleksey Fedotov,
• Olesya Severyukhina,
• Anastasia Salomatina and
• Anatolie Sidorenko

Beilstein J. Nanotechnol. 2025, 16, 1557–1566, doi:10.3762/bjnano.16.110

• small nanoscale system (500 atoms) consisting of cobalt atoms was solved. The purpose of this stage of computational experiment was to check the convergence of the solution and compare the obtained data with the results of other studies. The performed calculations and satisfactory correspondence to the

• are known. Analysis of magnetic moments of atoms mutually ordered as a result of modeling has shown that, for some cases of calculations for thin films of cobalt, the formation of Neel domain walls is typical [32][33][34]. An illustration of the resulting Neel domain wall is given in Figure 7, which

Influence of laser beam profile on morphology and optical properties of silicon nanoparticles formed by laser ablation in liquid

• Natalie Tarasenka,
• Vladislav Kornev,
• Alena Nevar and
• Nikolai Tarasenko

Beilstein J. Nanotechnol. 2025, 16, 1533–1544, doi:10.3762/bjnano.16.108

• peak fluence in the central lobe can be calculated as [31][32]: where Ein is the incident Gaussian pulse energy (80 mJ per pulse) and ω0 is e−2 radius of the incident Gaussian beam (3 mm). Following these calculations, the fluence was calculated to be 84.9 J·cm−2. Morphology, phase composition, and

Laser processing in liquids: insights into nanocolloid generation and thin film integration for energy, photonic, and sensing applications

• Akshana Parameswaran Sreekala,
• Pooja Raveendran Nair,
• Jithin Kundalam Kadavath,
• Bindu Krishnan,
• David Avellaneda Avellaneda,
• M. R. Anantharaman and
• Sadasivan Shaji

Beilstein J. Nanotechnol. 2025, 16, 1428–1498, doi:10.3762/bjnano.16.104

The role of biochar in combating microplastic pollution: a bibliometric analysis in environmental contexts

• Tuan Minh Truong Dang,
• Thao Thu Thi Huynh,
• Guo-Ping Chang-Chien and
• Ha Manh Bui

Beilstein J. Nanotechnol. 2025, 16, 1401–1416, doi:10.3762/bjnano.16.102

• interactions in soil [31]. Biochar properties The physical and chemical properties of biochar depend significantly on the composition of its feedstock [46]. Molecular model calculations and quantum chemistry analyses suggest that biochar derived from wood exhibits superior physical properties, such as porosity

Chitosan nanocomposite containing rotenoids: an alternative bioinsecticidal approach for the management of Aedes aegypti

• Maria A. A. Bertonceli,
• Vitor D. C. Cristo,
• Ivo J. Vieira,
• Francisco J. A. Lemos,
• Arnoldo R. Façanha,
• Raimundo Braz-Filho,
• Gustavo V. T. Batista,
• Luis G. M. Basso,
• Sérgio H. Seabra,
• Thalya S. R. Nogueira,
• Felipe F. Moreira,
• Arícia L. E. M. Assis,
• Antônia E. A. Oliveira and
• Kátia V. S. Fernandes

Beilstein J. Nanotechnol. 2025, 16, 1197–1208, doi:10.3762/bjnano.16.88

• for concentration calculations. Larvicidal activity assay The larvicidal assay was conducted according to the standards established by the World Health Organization [39] with adaptations [14]. Starting from an initial stock solution (10 mg nanoparticles/mL in water-diluted vinegar [to reach a 0.08

• % acetic acid concentration]), the nanoparticles were further diluted in ultrapure water to prepare concentrations of 50, 100, and 200 ppm of rotenoids, based on calculations obtained by HPLC. Vinegar, an easily accessible source of acetic acid, was employed because chitosan is a water-insoluble

Electronic and optical properties of chloropicrin adsorbed ZnS nanotubes: first principle analysis

• Prakash Yadav,
• Boddepalli SanthiBhushan and
• Anurag Srivastava

Beilstein J. Nanotechnol. 2025, 16, 1184–1196, doi:10.3762/bjnano.16.87

• the axis of the nanotube. A density mesh cutoff of 150 Rydberg was applied to define the real-space grid for energy calculations. The ZnS NT model, consisting of 36 atoms periodically arranged along the Z-direction, was structurally optimized to achieve geometric and energetic stability. Optimization

• , and projected density of states (DOS) calculations. This analysis provides critical insights into how the adsorption of CP molecules affects the electronic behavior of the NT. The band structure and DOS profile for pristine ZnS NT and CP-adsorbed ZnS NT in orientations A, B, C, and D are shown in

Transfer function of an asymmetric superconducting Gauss neuron

• Fedor A. Razorenov,
• Aleksander S. Ionin,
• Nikita S. Shuravin,
• Liubov N. Karelina,
• Mikhail S. Sidel’nikov,
• Sergey V. Egorov and
• Vitaly V. Bol’ginov

Beilstein J. Nanotechnol. 2025, 16, 1160–1170, doi:10.3762/bjnano.16.85

• [17][18], we get t = 0.2. Calculations based on Equation 52 give a similar shape of the TF (compared to Figure 6a) at ϕb = 0.3π. Thus, experimental results correspond to the expected ones, and a quantitative analysis shall be the subject of our subsequent publications. The problem with cross-talk

• ). Some methods of suppressing this interaction are discussed in [26]. The simplest ones include increasing the size of the screen and creating a reverse CL that is not coupled to the neuron (except screen-mediated coupling) and carries the control current in the opposite direction. Calculations show that

Crystalline and amorphous structure selectivity of ignoble high-entropy alloy nanoparticles during laser ablation in organic liquids is set by pulse duration

• Robert Stuckert,
• Felix Pohl,
• Oleg Prymak,
• Ulrich Schürmann,
• Christoph Rehbock,
• Lorenz Kienle and
• Stephan Barcikowski

Beilstein J. Nanotechnol. 2025, 16, 1141–1159, doi:10.3762/bjnano.16.84

• on density functional theory calculations of binding energies and machine learning algorithms for an efficient catalyst design [15][17][19]. The synthesis of HEA NPs has been realized by many methods, including carbothermal shock synthesis (CTS) [20][21], chemical reduction [22][23], fast-moving bed

Towards a quantitative theory for transmission X-ray microscopy

• James G. McNally,
• Christoph Pratsch,
• Stephan Werner,
• Stefan Rehbein,
• Andrew Gibbs,
• Jihao Wang,
• Thomas Lunkenbein,
• Peter Guttmann and
• Gerd Schneider

Beilstein J. Nanotechnol. 2025, 16, 1113–1128, doi:10.3762/bjnano.16.82

• . Supporting Information File 1 contains detailed descriptions for all other model calculations. We validated the code for computing the fields and for the pc-Mie model Equations 12 and 13 by comparing results for several approaches including numerical integration by the trapezoidal rule, numerical