Impact of adsorbate–substrate interaction on nanostructured thin films growth during low-pressure condensation

• Alina V. Dvornichenko,
• Vasyl O. Kharchenko and
• Dmitrii O. Kharchenko

Beilstein J. Nanotechnol. 2025, 16, 473–483, doi:10.3762/bjnano.16.36

• , namely, the parabolic growth ⟨d⟩st(δ) ∝ δ2 at δ < δp and the linear dependence ⟨d⟩st(δ) ∝ δ at δ > δp. This critical value δ = δp relates to the formation of percolating cluster of adsorbate connecting opposite sides of the substrate (see Figure 7b). The number of percolating clusters increases with

Vortex lattices of layered HTSCs at different vortex–vortex interaction potentials

• Valerii P. Lenkov,
• Anastasia N. Maksimova,
• Anna N. Moroz and
• Vladimir A. Kashurnikov

Beilstein J. Nanotechnol. 2025, 16, 362–370, doi:10.3762/bjnano.16.27

• minimum increases; starting from a certain value, the minimum disappears. For such a potential, the number of vortices in a cluster turns out to be up to several dozens. At large distances, both potentials monotonically tend to 0. The numerical coefficients in the potentials from Equation 2 and Equation 3

• vortices generated in the sample join the existing clusters. The number of vortices in a cluster changes from 17–20 at H = 400 to 80 at H = 1000 G. It is also of interest to study the behavior of the vortex lattice with changing temperature. The magnetization curves (Figure 3) were calculated at T = 1 K

• temperatures of 1–10 K, a hexagonal lattice of clusters is observed; upon reaching 20–25 K, the cluster structure is no longer observed. For the interaction potential characteristic of ferromagnetic superconductors, pronounced clustering is shown at fields near Hc1. The difference between the results obtained

Pulsed laser in liquid grafting of gold nanoparticle–carbon support composites

• Madeleine K. Wilsey,
• Teona Taseska,
• Qishen Lyu,
• Connor P. Cox and
• Astrid M. Müller

Beilstein J. Nanotechnol. 2025, 16, 349–361, doi:10.3762/bjnano.16.26

• bonds in solid materials are of the order of nanoseconds to microseconds [40]. For comparison, typical timescales expected for laser-induced growth of Au nuclei are hundreds of femtoseconds to a few nanoseconds [41], and the metal–cluster nucleation rate for the formation of ca. 5 nm gold nanoparticles

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

• Investigación Científica y Tecnológica A.C., Camino a la Presa San José 2055, Col. Lomas 4, San Luis Potosí, S.L.P. 78216, México 10.3762/bjnano.16.5 Abstract The electronic and optical properties of a composite created by introducing a magnetite cluster into NaA zeolite have been investigated in this work

• using DFT calculations. The results obtained indicate that the electronic and optical properties of the composite are enhanced because of the cluster. However, the properties exhibited by the cluster outside the zeolite differ from those it presents when it is part of the composite. It is noteworthy

• that the composite exhibits magnetic properties of a half-semiconductor and a strong optical response within the visible and ultraviolet regions of the spectrum. Keywords: magnetic cluster; NaA zeolite; optical properties; Introduction Zeolites are crystalline materials made up of aluminosilicates

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

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

• Kamal Kumar Nora H. de Leeuw Jost Adam Abhishek Kumar Mishra Department of Physics, Applied Science Cluster, School of Advanced Engineering, University of Petroleum and Energy Studies (UPES), Bidholi via Premnagar, Dehradun, Uttarakhand 248007, India School of Chemistry, University of Leeds, Leeds

Functional morphology of cleaning devices in the damselfly Ischnura elegans (Odonata, Coenagrionidae)

• Silvana Piersanti,
• Gianandrea Salerno,
• Wencke Krings,
• Stanislav Gorb and
• Manuela Rebora

Beilstein J. Nanotechnol. 2024, 15, 1260–1272, doi:10.3762/bjnano.15.102

• are typically located on the legs and are associated with complex grooming behaviors that vary greatly across arthropods [20]. Numerous studies on flies [21][22], wasps [23], mantids [24], and crickets [25] indicate that grooming behavior often falls into two distinct clusters. The anterior cluster

• , predominantly using the forelegs, involves grooming the antennae, head, mesosoma, forelegs, and middle legs. The posterior cluster focuses on cleaning the wings, metasoma, middle legs, and hind legs, and primarily uses the hind legs. A similar behavior is reported in ants, where functional morphology and

• together form an anatomical cluster called strigil [26][27][30]. In Coleoptera the protibial antennal cleaning organ is the main argument in support of a clade Geadephaga [31]. Studies on insect grooming can provide valuable data on the functional morphology of insect micro- and nanostructures and can

Direct electron beam writing of silver using a β-diketonate precursor: first insights

• Katja Höflich,
• Krzysztof Maćkosz,
• Chinmai S. Jureddy,
• Aleksei Tsarapkin and
• Ivo Utke

Beilstein J. Nanotechnol. 2024, 15, 1117–1124, doi:10.3762/bjnano.15.90

• cluster by enhanced diffusion. Finally, the second halo region (H2) depicts similar particle sizes around below 20 nm sitting on top of larger bright areas of 50–250 nm. The composition of the different halo regions was studied by EDX. Because of the rich morphology observed in the deposit, no thin-film

Bolometric IR photoresponse based on a 3D micro-nano integrated CNT architecture

• Yasameen Al-Mafrachi,
• Sandeep Yadav,
• Sascha Preu,
• Jörg J. Schneider and
• Oktay Yilmazoglu

Beilstein J. Nanotechnol. 2024, 15, 1030–1040, doi:10.3762/bjnano.15.84

• strongly influenced by the size and morphology of the catalyst particles. A correlation between cluster size and diameter of the CNT grown on it was shown in [15]. The effect of the growth temperature on the diameter distribution and chirality of single-walled carbon nanotubes can be found in [16]. A new

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

• geometries, electron affinities, and ionization potentials reported in the benchmark. The ground-state structure geometry and binding energy were obtained from the DFT for the ground-state structure of each cluster. The binding energy of the neutral clusters of the calcium series follows an increasing trend

• , except for a few stable even and odd clusters. The electronic properties of the calcium cluster were studied with an all-electron FHI-aims code. In the G0W0 calculation, the magic cluster Ca10 has relatively high ionization potential and low electron affinity. The obtained ionization potentials from the

• G0W0@PBE calculation showed that the larger cluster has less variation, whereas the electron affinities of the series have an increasing trend. The ionization potentials from the G0W0 benchmark for the calcium cluster series have not yet been described in the literature. Keywords: calcium clusters

Atomistic insights into the morphological dynamics of gold and platinum nanoparticles: MD simulations in vacuum and aqueous media

• Evangelos Voyiatzis,
• Eugenia Valsami-Jones and
• Antreas Afantitis

Beilstein J. Nanotechnol. 2024, 15, 995–1009, doi:10.3762/bjnano.15.81

• clusters consisting of 1157 atoms [51]. Some light on the microscopic origin of the anisotropic growth of gold NPs has been cast via molecular dynamics simulations [52]. In a similar way, Lümmen and Kraska investigated the homogeneous nucleation and cluster growth of Pt clusters from supersaturated vapour

• their energy interactions. The morphological changes in the NPs are measured using both atomic parameters, such as the coordination number and the Berry parameter, and cluster parameters, such as the X-ray powder diffraction pattern and the asphericity parameter. Furthermore, we extract qualitative

• performed with the LAMMPS code [69], and atomistic configurations are visualized using the Ovito software [70]. The structural modifications occurring in the NPs are identified by monitoring the temperature variation of atomic and cluster parameters. One such atomic quantity is the Berry parameter, δ, which

A review on the structural characterization of nanomaterials for nano-QSAR models

• Salvador Moncho,
• Eva Serrano-Candelas,
• Jesús Vicente de Julián-Ortiz and
• Rafael Gozalbes

Beilstein J. Nanotechnol. 2024, 15, 854–866, doi:10.3762/bjnano.15.71

• complexity of inorganic materials and, in place of structural features, focus on electronic features. In this regard, several descriptors were obtained from quantum mechanics (QM) calculations of small clusters or periodic models [26][27][28][29][30]. Although cluster-calculated QM descriptors are inherently

• size-dependent, they are calculated using smaller, single-size model clusters, which are not related to the size of the nanoparticles; thus, they should be considered size-independent. Cluster-related values include standard heat of formation, total energy, electronic energy, core–core repulsion energy

• , area and volume of the cluster, energies of HOMO and LUMO orbitals and the gap between them, and lattice energies [22][26]. The energy levels of conduction and valence bands, which are found commonly among the most important parameters, can be calculated from QM models or derived from other simple

Electron-induced ligand loss from iron tetracarbonyl methyl acrylate

• Hlib Lyshchuk,
• Atul Chaudhary,
• Thomas F. M. Luxford,
• Miloš Ranković,
• Jaroslav Kočišek,
• Juraj Fedor,
• Lisa McElwee-White and
• Pamir Nag

Beilstein J. Nanotechnol. 2024, 15, 797–807, doi:10.3762/bjnano.15.66

• surface-based investigations, where the electron-induced ligand loss has been probed by XPS [13], ion desorption [14], IR spectroscopy [15], or cluster-beam studies [16][17][18]. The ligand loss has also been probed by ion impact, both in the gas phase [19] and on the surface [13], and, theoretically, by

• = 11.6, 7.8 Hz, 1H), 2.91 (dd, J = 11.6, 2.3 Hz, 1H), 2.62 (dd, J = 7.7, 2.3 Hz, 1H). Electron collision experiments Two different experimental setups were used to perform low-energy electron beam-induced dissociation experiments. They are complementary; one of them, the CLUster Beam setup (CLUB), has a

Classification and application of metal-based nanoantioxidants in medicine and healthcare

• Nguyen Nhat Nam,
• Nguyen Khoi Song Tran,
• Tan Tai Nguyen,
• Nguyen Ngoc Trai,
• Nguyen Phuong Thuy,
• Hoang Dang Khoa Do,
• Nhu Hoa Thi Tran and
• Kieu The Loan Trinh

Beilstein J. Nanotechnol. 2024, 15, 396–415, doi:10.3762/bjnano.15.36

• , which are a cluster of hundreds to thousands atoms aggregated together [135]. The potential of natural antioxidant nanodelivery systems for treating age-related metabolic disorders has been proved in both in vivo and in vitro studies. For example, a nanoparticle-based formulation of curcumin exhibited

Investigating structural and electronic properties of neutral zinc clusters: a G₀W₀ and G₀W₀Г₀⁽¹⁾ benchmark

• Sunila Bakhsh,
• Muhammad Khalid,
• Sameen Aslam,
• Muhammad Sohail,
• Muhammad Aamir Iqbal,
• Mujtaba Ikram and
• Kareem Morsy

Beilstein J. Nanotechnol. 2024, 15, 310–316, doi:10.3762/bjnano.15.28

• clusters. The structural motifs are optimized using the density functional theory approach to ensure that the structures are fully relaxed. Results are compared with the literature to validate the accuracy of the prediction method. The binding energy per cluster is obtained and compared with the reported

• ability to lose electrons quickly to oxygen makes it unsuitable as a coating material. Zinc exhibits a s2 closed-shell structure, and its dimer forms through van der Waal (vdW) forces [4]. As the cluster size increases, the properties of the clusters change significantly, and the effect of vdW forces

• decreases. Bulk zinc has metallic characteristics because of the overlap of the s and p orbitals. In the past, Zn clusters have been analyzed both experimentally and theoretically, where the studies were mainly conducted to determine the stability and electronic properties of the zinc cluster ground state

Ferromagnetic resonance spectra of linear magnetosome chains

• Elizaveta M. Gubanova and
• Nikolai A. Usov

Beilstein J. Nanotechnol. 2024, 15, 157–167, doi:10.3762/bjnano.15.15

• assembly of chains shown in Figure 4a with the FMR spectra of a random assembly of clusters of interacting magnetite nanoparticles calculated for different cluster filling densities η = NpV/Vcl. Here, Vcl is the volume of a random cluster containing Np = 60 spherical magnetite nanoparticles of the same

• diameter D = 40 nm, randomly located in the cluster volume and having a random orientation of the cubic anisotropy axes. As Figure 4b shows, the width of the FMR spectra of dilute assemblies of random clusters increases with an increase in the filling density η because of an increase in the intensity of

• the magnetic dipole interactions within the clusters. For example, at η = 0.308, when the average distance between particle centers in a dense random cluster is rather small, L = (π/6η)1/3D ≈ 1.2D, the width of the FMR spectrum of the assembly of random clusters at half maximum is approximately ΔH

A combined gas-phase dissociative ionization, dissociative electron attachment and deposition study on the potential FEBID precursor [Au(CH₃)₂Cl]₂

• Elif Bilgilisoy,
• Ali Kamali,
• Thomas Xaver Gentner,
• Gerd Ballmann,
• Sjoerd Harder,
• Hans-Peter Steinrück,
• Hubertus Marbach and
• Oddur Ingólfsson

Beilstein J. Nanotechnol. 2023, 14, 1178–1199, doi:10.3762/bjnano.14.98

• values of 13.35 and 13.06 eV, calculated at the DFT and coupled cluster level of theory (TZVP), respectively, for the formation of ethene (CH2CH2), 2HCl, and methane as the neutral counterparts. Considering the formation of ethane (CH3CH3), HCl, and chloromethane as the neutral counterparts lowers the

• cluster value agrees well with the experimental AE, and the DFT value is only marginally above its higher confidence limit. Considering the formation of chloromethane and two methyl radicals gives threshold values of 14.99 and 15.05 eV, respectively. This also agrees with the AE at the coupled cluster

• fragments is large. Nonetheless, we have determined the AEs for m/z 227 and 225 (see Supporting Information File 1 for m/z 225). For m/z 227, we found the AE to be 12.4 ± 0.2 which agrees at the coupled cluster level of theory with the formation of ethane, Cl2, and atomic chlorine (12.54 eV) and with the

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

• the head group pairs, while they were directed in opposite directions. In line B, the head groups exhibited parallel orientation. In contrast, 2-HA-OC16 exhibited a knot-like structure containing clusters of molecules (Figure 11d–f). In the cluster, two or three pairs of parallel oriented head groups

Ultralow-energy amorphization of contaminated silicon samples investigated by molecular dynamics

• Grégoire R. N. Defoort-Levkov,
• Alan Bahm and
• Patrick Philipp

Beilstein J. Nanotechnol. 2023, 14, 834–849, doi:10.3762/bjnano.14.68

• HPC cluster of the Luxembourg Institute of Science and Technology. The simulations aim to reproduce a continuous sputtering process in experiments. Argon atoms are accelerated (at various angles and energies) towards the sample surface. The resulting collision cascade is modelled in the sample

Transferability of interatomic potentials for silicene

• Marcin Maździarz

Beilstein J. Nanotechnol. 2023, 14, 574–585, doi:10.3762/bjnano.14.48

• the SO(3) smooth power spectrum potential (SO(3)) fitted to the ground-state of the crystalline silicon structure, strained structures, slabs, vacancy, and liquid configurations from DFT simulations ACE [45]: the machine-learning-based (ML-IAP) variant of the atomic cluster expansion potential (ACE

• dumbbell silicene (TDS). Supporting Information File 23: Honeycomb dumbbell silicene (HDS). Supporting Information File 24: Large honeycomb dumbbell silicene (LHDS). Acknowledgements Additional assistance was granted through the computing cluster GRAFEN at Biocentrum Ochota, the Interdisciplinary Centre

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

• plasmon line width is the scattering of plasmons at the surface for nanoparticles of sizes approaching the mean free path of electrons. Apart from the minor contribution to the linewidth arising from the disparity in particle sizes (when considering the absorption of a cluster of nanoparticles), the

Overview of mechanism and consequences of endothelial leakiness caused by metal and polymeric nanoparticles

• Magdalena Lasak and
• Karol Ciepluch

Beilstein J. Nanotechnol. 2023, 14, 329–338, doi:10.3762/bjnano.14.28

• junctions, which are a cluster of transmembrane channels located throughout the vascular system. The intercellular junctions between endothelial cells play an important role in maintaining the monolayer integrity, but they also connect cells in a dynamic and communicative manner [13][14]. Any change in

• , the dissociation of the cadherin pair cluster is more effective for localized Au NPs than for NPs evenly distributed throughout the endothelium. Localized Au NPs inhibited the rate of rebinding between adjacent VE-cadherin pairs to a greater extent compared to evenly distributed NPs because of the

Single-step extraction of small-diameter single-walled carbon nanotubes in the presence of riboflavin

• Polina M. Kalachikova,
• Anastasia E. Goldt,
• Eldar M. Khabushev,
• Timofei V. Eremin,
• Timofei S. Zatsepin,
• Elena D. Obraztsova,
• Konstantin V. Larionov,
• Liubov Yu. Antipina,
• Pavel B. Sorokin and
• Albert G. Nasibulin

Beilstein J. Nanotechnol. 2022, 13, 1564–1571, doi:10.3762/bjnano.13.130

• to a supercomputer cluster at NUST "MISiS" provided by the Materials Modeling and Development Laboratory and to the Joint Supercomputer Center of the Russian Academy of Sciences. Funding A.G.N and A.E.G thank the Council on grants of the President of the Russian Federation grant number НШ

Frequency-dependent nanomechanical profiling for medical diagnosis

• Santiago D. Solares and
• Alexander X. Cartagena-Rivera

Beilstein J. Nanotechnol. 2022, 13, 1483–1489, doi:10.3762/bjnano.13.122

• latter method raises serious concerns about the patient’s health. After acquisition of tissue physical data, a computer data analysis is performed to determine the frequency-dependent mechanical properties (e.g., ES and EL). Then, an unsupervised machine learning cluster analysis is performed to identify

Straight roads into nowhere – obvious and not-so-obvious biological models for ferrophobic surfaces

• Wilfried Konrad,
• Christoph Neinhuis and
• Anita Roth-Nebelsick

Beilstein J. Nanotechnol. 2022, 13, 1345–1360, doi:10.3762/bjnano.13.111

• protrusions, whereas, in a cluster of cavities the emergence of unconnected air layers that are attached to a single cavity is to be expected. Clearly, in the second case, a localised disturbance will cause the breakdown of a few air layers close to the disturbance, while, in the case of a joint air layer, a