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

• the entire procedure is repeated until convergence is achieved. The calculation is considered converged when the relative changes in the order parameter and the HF field are below 10−7. To model quasicrystal superconducting properties, as the first step, we consider a finite Fibonacci sequence

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

• layers of h-BN with convergence at four layers to the bulk values [24]. Electron transport through two layers of graphene and h-BN was investigated with the non-equilibrium Green’s function (NEGF) method combined with DFT [25]. The results show similar tunneling currents for graphene and h-BN. This work

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

• for tip and substrate and fitted the radius of the probes using contact mechanics models. In many cases, the fits did not converge, so we used the best fit values near convergence and plotted the expected model variations for k* and normal force in Figure 5 with a red dashed line, with the

On the road to sustainability – application of metallic nanoparticles obtained by green synthesis in dentistry: a scoping review

• Lorena Pinheiro Vasconcelos Silva,
• Joice Catiane Soares Martins,
• Israel Luís Carvalho Diniz,
• Júlio Abreu Miranda,
• Danilo Rodrigues de Souza,
• Éverton do Nascimento Alencar,
• Moan Jéfter Fernandes Costa and
• Pedro Henrique Sette-de-Souza

Beilstein J. Nanotechnol. 2025, 16, 1851–1862, doi:10.3762/bjnano.16.128

• stringent regulatory oversight. The prominent use of silver and zinc oxide nanoparticles, produced through environmentally sustainable phytochemical-mediated synthesis, underscores a convergence of advanced antimicrobial functionality, enhanced biocompatibility, and alignment with global sustainability

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

• the length of the chain, there is a convergence of the data as the temperature decreases. Consequently, εT as a function ΔωLCC (see Figure 2f) also converges when ωLCC → . Note that in both cases, once again, the experimental data follow the Debye model up to 300 K. According to the data and the

Beyond the bilayer: multilayered hygroscopic actuation in pine cone scales

• Kim Ulrich,
• Max David Mylo,
• Tom Masselter,
• Fabian Scheckenbach,
• Sophia Fischerbauer,
• Martin Nopens,
• Silja Flenner,
• Imke Greving,
• Linnea Hesse and
• Thomas Speck

Beilstein J. Nanotechnol. 2025, 16, 1695–1710, doi:10.3762/bjnano.16.119

• , respectively. The resulting mesh comprised 3,927,014 nodes and 2,681,955 elements. The maximum deformation of the scale changed from 4.5617 to 4.5574 mm, corresponding to a relative change of about 0.1%). Thus, mesh convergence can be assumed. Additional analysis of the impact of expansion coefficient variance

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

• checking the convergence of the obtained numerical solutions. The second task investigated the self-organization of atomic spins in cobalt thin films and analyzed the dependence of nanofilm magnetic properties on their thickness. In both problems, there was no external magnetic field in the system, and the

• fact that in [22] the modeling was carried out within the framework of the microcanonical ensemble, while in the present work a stochastic approach based on the Landau–Lifshitz–Hilbert equation was used. For further analysis of the convergence of the numerical solutions and the influence of the time

Transient electronics for sustainability: Emerging technologies and future directions

• Jae-Young Bae,
• Myung-Kyun Choi and
• Seung-Kyun Kang

Beilstein J. Nanotechnol. 2025, 16, 1545–1556, doi:10.3762/bjnano.16.109

• electronic devices has created fertile ground for the convergence of flexible electronics with lifetime-controllable material systems [13]. This confluence has given rise to the emerging field of transient electronics, that is, devices engineered to function over a defined time window before undergoing

• electronic systems seamlessly interact with their environment, fulfill their intended functions, and then disappear without residue or retrieval. As the field matures, the convergence of materials science, device engineering, and systems integration will be essential to unlock the full potential of these

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

• excitation at 265, 300, and 370 nm. Supporting Information Supporting Information File 18: Additional experimental results and analysis of the produced Si NPs. Funding The work was partially financed by the National Academy of Sciences of Belarus under project Convergence 2.2.05 and by the Belarusian

Enhancing the therapeutical potential of metalloantibiotics using nano-based delivery systems

• Alejandro Llamedo,
• Marina Cano,
• Raquel G. Soengas and
• Francisco J. García-Alonso

Beilstein J. Nanotechnol. 2025, 16, 1350–1366, doi:10.3762/bjnano.16.98

• rational design of new metal-based complexes and optimize their delivery systems. These technologies can provide valuable insights into target interactions, predict pharmacokinetic behavior, and guide the development of safer, more effective therapeutic candidates. Altogether, the convergence of

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

• was performed with stringent convergence criteria: a maximum force tolerance of 0.05 eV/Å and a stress tolerance of 0.05 eV/Å3. These parameters ensured the reliability and accuracy of the resulting structural configurations for subsequent electronic and transport property analyses. To study the

Soft materials nanoarchitectonics: liquid crystals, polymers, gels, biomaterials, and others

• Katsuhiko Ariga

Beilstein J. Nanotechnol. 2025, 16, 1025–1067, doi:10.3762/bjnano.16.77

• construction of functional materials from nanoscale units using a variety of materials processes (Figure 1) [125]. It is evident that the integration of knowledge and technology from both nanotechnology and materials sciences is imperative. Nanoarchitectonics may be regarded as a convergence of nanotechnology

• can be applied to the creation of all materials. If the ultimate theory of physics is the theory of everything [131], then nanoarchitectonics could be said to be the method for everything in materials science [132][133]. As previously outlined, nanoarchitectonics represents the convergence of

Time-resolved probing of laser-induced nanostructuring processes in liquids

• Maximilian Spellauge,
• David Redka,
• Mianzhen Mo,
• Changyong Song,
• Heinz Paul Huber and
• Anton Plech

Beilstein J. Nanotechnol. 2025, 16, 968–1002, doi:10.3762/bjnano.16.74

• demanding studies that eventually show convergence with experimental results. Generally, the classification of the mechanisms in LSPC identifies three main pathways that are pictured schematically in Figure 1: (i) thermal processes, where the condensed matter is heated to high lattice temperatures, leading

Theoretical study of the electronic and optical properties of a composite formed by the zeolite NaA and a magnetite cluster

• Joel Antúnez-García,
• Roberto Núñez-González,
• Vitalii Petranovskii,
• H’Linh Hmok,
• Armando Reyes-Serrato,
• Fabian N. Murrieta-Rico,
• Mufei Xiao and
• Jonathan Zamora

Beilstein J. Nanotechnol. 2025, 16, 44–53, doi:10.3762/bjnano.16.5

• , 1.60, 1.90, and 1.70 for aluminum, oxygen, silicon, sodium, and sulfur, respectively; the convergence number, that is, the smallest muffin-tin radii times the plane wave cutoff parameter, is set at RmtKmax = 6.0; the maximum l value for partial waves used inside atomic spheres is lmax = 10; and the

• properties. For the energy convergence criterion, we consider a value of 1 × 10−4 Ry. For a valid comparison, the same values were used to calculate the electronic and optical properties of the isolated magnetite cluster. Finally, spin polarization was considered for both calculations (zeolite-cluster and

Facile synthesis of size-tunable L-carnosine-capped silver nanoparticles and their role in metal ion sensing and catalytic degradation of p-nitrophenol

• Akash Kumar,
• Ridhima Chadha,
• Abhishek Das,
• Nandita Maiti and
• Rayavarapu Raja Gopal

Beilstein J. Nanotechnol. 2024, 15, 1576–1592, doi:10.3762/bjnano.15.124

• atoms. Calculations were executed using Gaussian 09, Revision A.02 software [23]. The optimization process was conducted without symmetry restrictions. The convergence criteria were an energy change of less than 1.0 × 10−6 Hartree and a gradient of less than 3.0 × 10−4 atomic units. The vibrational

Integrating high-performance computing, machine learning, data management workflows, and infrastructures for multiscale simulations and nanomaterials technologies

• Fabio Le Piane,
• Mario Vozza,
• Matteo Baldoni and
• Francesco Mercuri

Beilstein J. Nanotechnol. 2024, 15, 1498–1521, doi:10.3762/bjnano.15.119

• , Turin, Corso Duca degli Abruzzi 24, Italy 10.3762/bjnano.15.119 Abstract This perspective article explores the convergence of advanced digital technologies, including high-performance computing (HPC), artificial intelligence, machine learning, and sophisticated data management workflows. The primary

• efficiency of materials research. The integration of digital technologies into materials science has, thus, opened up exciting new possibilities for materials design, discovery, and innovation [14]. New, fully digitalized research directions for materials development are therefore emerging at the convergence

Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

• Kamal Kumar,
• Nora H. de Leeuw,
• Jost Adam and
• Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

• . The convergence in self-consistency was achieved at a stringent threshold energy value of 10−5 eV, and forces acting on atoms were converged to 0.01 eV. Top and side views of relaxed geometries, PDOS, and EBSs of (a) ψ-graphene, (b) ψ-graphone, and (c) ψ-graphane. The black dashed square boxes in the

Lithium niobate on insulator: an emerging nanophotonic crystal for optimized light control

• Midhun Murali,
• Amit Banerjee and
• Tanmoy Basu

Beilstein J. Nanotechnol. 2024, 15, 1415–1426, doi:10.3762/bjnano.15.114

• constructed geometry/domains will be discretized into small elements (meshing) and solving the equations for each element. The accuracy of the simulation and the stability and convergence of solvers heavily depend on the mesh quality. The choice/refinement of mesh parameters (Figure S2 and Table S1 of

Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

• Anup Shrivastava,
• Shivani Saini,
• Dolly Kumari,
• Sanjai Singh and
• Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

• has been sampled into 13 × 13 × 1 K-mesh points (using the Monkhorst–Pack scheme [72]) and high-energy/force convergence criteria of 10−10 eV/10−10 eV/Å3, respectively, have been set for two consecutive self-consistent cycles. A sufficiently high vacuum of 23 Å is applied perpendicularly to avoid

Ca_n neutral clusters: a two-step G₀W₀ and DFT benchmark

• Sunila Bakhsh,
• Sameen Aslam,
• Muhammad Khalid,
• Muhammad Sohail,
• Sundas Zafar,
• Sumayya Abdul Wadood,
• Kareem Morsy and
• Muhammad Aamir Iqbal

Beilstein J. Nanotechnol. 2024, 15, 1010–1016, doi:10.3762/bjnano.15.82

• functionals, as it can be more efficient in terms of computational resources and time. The threshold for the force was set at 0.1 eV/Angstrom for better convergence, whereas the charge density difference tolerance, which is essential for convergence, was set at a value of 10−9. The ABACUS code employs the

• , which was tested against the triple-ζ plus double polarization (TZDP) to obtain the total energies of Ca6, Ca7, and Ca8. The convergence plot can be found in Supporting Information File 1, Figure S1. It is worth mentioning that our motivation for the selection of DZP is based on our previously reported

Stiffness calibration of qPlus sensors at low temperature through thermal noise measurements

• Laurent Nony,
• Sylvain Clair,
• Daniel Uehli,
• Aitziber Herrero,
• Jean-Marc Themlin,
• Andrea Campos,
• Franck Para,
• Alessandro Pioda and
• Christian Loppacher

Beilstein J. Nanotechnol. 2024, 15, 580–602, doi:10.3762/bjnano.15.50

• method 2, is problematic. Their convergence and the accuracy of the fit coefficients may depend on type of noise, type of fit functional, minimization algorithm, and number of coefficients to fit along with their boundary conditions and may lead to erroneous results. Because some of these difficulties

A bifunctional superconducting cell as flux qubit and neuron

• Dmitrii S. Pashin,
• Pavel V. Pikunov,
• Marina V. Bastrakova,
• Andrey E. Schegolev,
• Nikolay V. Klenov and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2023, 14, 1116–1126, doi:10.3762/bjnano.14.92

• level convergence for short periods τLZ, the phases of the wave functions change significantly, leading to strong fluctuations of the level populations in the system, and can lead to quasi-random dynamics in the parametron. In addition, Landau–Zener interference has become a tool to access the

• the following Hamiltonian: where Δ = E1(tLZ) − E0(tLZ) determines the distance between energy levels at the moment of their closest convergence, and ε(τLZ) determines the type of levels anticrossing. The instantaneous energy levels of the ground and excited states can then be written as E0,1(τLZ

• ) = . Let us estimate the Landau–Zener transition probability at the moment of the first levels’ convergence, which corresponds to the time tLZ for diabatic dynamics (when Δ → 0) of level crossing (dashed lines in inserts in Figure 2a,b). As clearly seen from the simulation, the anticrossing effect occurs

Density functional theory study of Au-fcc/Ge and Au-hcp/Ge interfaces

• Olga Sikora,
• Małgorzata Sternik,
• Benedykt R. Jany,
• Franciszek Krok,
• Przemysław Piekarz and
• Andrzej M. Oleś

Beilstein J. Nanotechnol. 2023, 14, 1093–1105, doi:10.3762/bjnano.14.90

• the investigated crystal planes and possible interfaces are introduced. Section Results and Discussion begins with convergence tests and calculations conducted for several low-index surfaces and simple Au/Ge interfaces. We then proceed to discussing several variants of a heterostructure with parallel

• slab as in Figure 1a is joined with the Ge slab marked with a black square in Figure 1b. A variant of such a superlattice was used to perform convergence tests described in the next section. Another way of exploiting this lattice match is to connect a Au-fcc(011) plane as shown in Figure 1c and the

• ) interface only. To model the heterostructure, we multiply the relevant Au and Ge surfaces (shown in Figure 1d,e) to obtain minimal strain within a reasonable size of the system. Results and Discussion Convergence tests Ideally, the thickness of the slabs should be large enough to ensure that all the surface

Two-dimensional molecular networks at the solid/liquid interface and the role of alkyl chains in their building blocks

• Suyi Liu,
• Yasuo Norikane and
• Yoshihiro Kikkawa

Beilstein J. Nanotechnol. 2023, 14, 872–892, doi:10.3762/bjnano.14.72

• HOPG/1-phenylnonane (C9) interface (instead of 1-phenyloctane (C8)), NC20 only exhibited a wavy structure. This is possibly due to the alkyl chain length of the solvent, enabling the convergence of the 2D structure to a wavy structure, resulting in the emergence of a “complete” odd–even effect. NC18

• , resulting in structural divergence/convergence, especially in NC20. Conclusion In this review, we introduce and summarize the significant effects of alkyl chains on 2D self-assemblies, demonstrated in various STM studies at the solid/liquid interface. The major roles of alkyl chains can be summarized as

The origin of black and white coloration of the Asian tiger mosquito Aedes albopictus (Diptera: Culicidae)

• Manuela Rebora,
• Gianandrea Salerno,
• Silvana Piersanti,
• Alexander Kovalev and
• Stanislav N. Gorb

Beilstein J. Nanotechnol. 2023, 14, 496–508, doi:10.3762/bjnano.14.41

• wingbeats to locate and respond to one another through harmonic convergence [26]. Yet, visual trap components can be important, especially in diurnally active mosquitoes, such as the yellow fever mosquito Ae. aegypti (and the tiger mosquito Ae. albopictus). Indeed, it has been previously demonstrated that