Electrical, photocatalytic, and sensory properties of graphene oxide and polyimide implanted with low- and medium-energy silver ions

• Josef Novák,
• Eva Štěpanovská,
• Petr Malinský,
• Vlastimil Mazánek,
• Jan Luxa,
• Ulrich Kentsch and
• Zdeněk Sofer

Beilstein J. Nanotechnol. 2025, 16, 1794–1811, doi:10.3762/bjnano.16.123

• and Ag ion interstitials. The discrepancy between the SRIM-simulated and RBS-measured Ag depth profiles can be attributed to several factors. SRIM simulations are based on an idealized model that assumes a homogeneous, amorphous target with constant density and does not account for structural or

• simulations. Already at low fluence (3.75 × 1012 cm−2), a decrease in surface resistivity is seen, suggesting that deep energy deposition induces extensive fragmentation of the polymer skeleton, in particular cleavage of C–N, C–O, and C=C bonds and more efficient formation of conducting phases. As the fluence

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

• X- and Y-directions (spanning the cross section of each model), the mean value of the two measured values was used, while the Z-value (from the basal to the apical end of the models) was derived directly. The same coefficients were used in all simulations. A linear elastic material model was applied

• for all tissues, with Young’s moduli of 30 MPa for the sclereid layer, 500 MPa for the sclerenchyma fibers, and 50 MPa for the brown tissue, and a Poisson’s ratio of 0.3 for all tissues (all values derived from Eger et al. [23]). These five simulations will be referred to as the standard simulations

• points. These were located at the two adaxial apical corners of each geometry and at the adaxial apical center (Figure S2, Supporting Information File 2). In order to assess the sensitivity of the FE analyses with respect to the expansion coefficients in the measured ranges, two comparative simulations

Nanotechnology-based approaches for the removal of microplastics from wastewater: a comprehensive review

• Nayanathara O Sanjeev,
• Manjunath Singanodi Vallabha and
• Rebekah Rubidha Lisha Rabi

Beilstein J. Nanotechnol. 2025, 16, 1607–1632, doi:10.3762/bjnano.16.114

• innovative solutions in MPs remediation. You et al. [119] synthesized a robust composite material, ZIF-8@Aerogel, by growing Zn-based MOF ZIF-8 directly onto wood-derived aerogel fibres. This composite demonstrated effective MP removal in both freshwater and seawater simulations. Specifically, it achieved a

Bioinspired polypropylene-based functionally graded materials and metamaterials modeling the mistletoe–host interface

• Lina M. Rojas González,
• Naeim Ghavidelnia,
• Christoph Eberl and
• Max D. Mylo

Beilstein J. Nanotechnol. 2025, 16, 1592–1606, doi:10.3762/bjnano.16.113

• the total deformation were selected for comparative strain pattern analysis. Simulations In order to determine the mechanical behavior and response of the triangular, graded, and inversely graded metamaterial structures in an idealized form, and thus highlight the possibilities of combining geometric

• and material gradients, finite element (FE) simulations were performed using small deformation implicit modeling. The linear solver of the ANSYS static structural module was used for the FE simulations. Due to the low thickness of the metamaterial structures, the plane stress 2D model (PLANE 183

• conditions for the metamaterial structures at the gripping points and free sides. To better illustrate the effect of the opposing structural and material gradients, we performed idealized FE simulations using the PP and PPGF material properties provided by the manufacturer. These show strain accumulation

Few-photon microwave fields for superconducting transmon-based qudit control

• Irina A. Solovykh,
• Andrey V. Pashchenko,
• Natalya A. Maleeva,
• Nikolay V. Klenov,
• Olga V. Tikhonova and
• Igor I. Soloviev

Beilstein J. Nanotechnol. 2025, 16, 1580–1591, doi:10.3762/bjnano.16.112

• , the theoretical detuning match the maximum detunings from numerical simulations Δωn. Distribution (colored) of the probability of transmon state excitation versus time, obtained in the case of the initial state in the regime with predominant nonlinear interaction (K = 9.6) for g = 0.025ω0 and γ

• each panel are the same as for the corresponding panels in Figure 7. Comparison of theoretical detuning with detuning Δωn obtained from numerical simulations. The maximum probability of excitation Pn of the states with n = 1–4 of the designed transmon during the time τn. Funding The study of the

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

• calculated points of the graphs are nearly a straight line. The approximation value for the deviation of magnetic energy ΔE(Δt) was R2 = 0.96, for the deviation of magnetization modulus ΔM(Δt) was R2 = 0.93. A comparison of ΔE(Δt) and ΔM(Δt), obtained from the simulations in this work and the values from [22

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

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

• Orientation A offering the strongest potential for optical sensing. In contrast, others show moderate or limited tuning, supporting tailored optoelectronic applications. Conclusion In conclusion, this work uses first-principles simulations to analyze the adsorption of chloropicrin on ZnS NT. The adsorption

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

• and can even happen at room temperature. However, this is unlikely to be the driving factor as this may not explain the differences in the nanoparticle structure caused by ps- or ns-LAL which create particles of similar size. Also note that the estimated durations of TL refer to simulations on silver

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

• coatings [17][18][19]. The understanding of LSPC in liquids has been largely stimulated by theoretical approaches and simulations. In a thermodynamic approach, the equilibration of excited electrons with the phonon bath is described in the two-temperature model (TTM) [20][21][22], which conveys important

• transitions can be well modeled by classical approaches down to the nanometer scale in a local thermodynamic equilibrium [32][33][34]. A synthesis of the different coevolving phenomena with excitation and dissipation requires more detailed numerical approaches [35] or simulations. Molecular dynamics (MD

• ) simulations [36][37] are widely used to predict phase transitions or structure formation on the nanoscale [38][39], but ultimately also require interfacing the simulations with other models, such as TTM [40][41] or large-scale hydrodynamics [42][43][44][45]. This integration approach leads to computationally

Tendency in tip polarity changes in non-contact atomic force microscopy imaging on a fluorite surface

• Bob Kyeyune,
• Philipp Rahe and
• Michael Reichling

Beilstein J. Nanotechnol. 2025, 16, 944–950, doi:10.3762/bjnano.16.72

• over many years based on theoretical simulations of NC-AFM data for a variety of plausible tip models [9][19][20][21][22]. Through further endeavors, a qualitative distance-dependent approach involving electrostatic interactions and Pauli repulsion has recently been exemplified on CaF2(111) [10]. As a

Focused ion beam-induced platinum deposition with a low-temperature cesium ion source

• Thomas Henning Loeber,
• Bert Laegel,
• Meltem Sezen,
• Feray Bakan Misirlioglu,
• Edgar J. D. Vredenbregt and
• Yang Li

Beilstein J. Nanotechnol. 2025, 16, 910–920, doi:10.3762/bjnano.16.69

• sputtered from the surface and pumped away by the vacuum system. Also, Cs+ ions with higher energies penetrate deeper into the material (see the “Stopping and Range of Ions in Matter” (SRIM) [24] simulations in Figure 3) and react less with the elements on the surface. Therefore, the surface bubbles

Heat-induced transformation of nickel-coated polycrystalline diamond film studied in situ by XPS and NEXAFS

• Olga V. Sedelnikova,
• Yuliya V. Fedoseeva,
• Dmitriy V. Gorodetskiy,
• Yuri N. Palyanov,
• Elena V. Shlyakhova,
• Eugene A. Maksimovskiy,
• Anna A. Makarova,
• Lyubov G. Bulusheva and
• Aleksandr V. Okotrub

Beilstein J. Nanotechnol. 2025, 16, 887–898, doi:10.3762/bjnano.16.67

• sp3 hybridization is a metastable material. A significant activation barrier hampers its relaxation into sp2 graphitic carbon, and this transformation occurs during vacuum heating in the temperature range of 1500–1800 °C [9]. According to molecular dynamics simulations, graphitization of nonterminated

Ar⁺ implantation-induced tailoring of RF-sputtered ZnO films: structural, morphological, and optical properties

• Manu Bura,
• Divya Gupta,
• Arun Kumar and
• Sanjeev Aggarwal

Beilstein J. Nanotechnol. 2025, 16, 872–886, doi:10.3762/bjnano.16.66

• response to a rise in ion fluence. The ion implantation-induced lattice disorder and lattice damage as functions of the ion fluence were studied in terms of displacement produced per atom in the host lattice calculated using TRIM simulations [19] and were correlated with changes in Urbach energy. The films

• fluence of implanted ions and displacements produced per atom (dpa) in the host matrix through implantation [28]. The value of dpa can be calculated via TRIM simulations using the following relation [14]: The above equation depicts the number of vacancies created per ion per angstrom, which can be

• calculated from TRIM simulations as shown in Figure 5. For ZnO, the atomic density value is 8.30 × 1022 atoms/cm3, and the displacement energy for both zinc and oxygen is 56 eV. It is to be noticed from Table 3 that dpa increases with increases in argon ion fluence. Thus, the rise in intensity of the

Insights into the electronic and atomic structures of cerium oxide-based ultrathin films and nanostructures using high-brilliance light sources

• Paola Luches and
• Federico Boscherini

Beilstein J. Nanotechnol. 2025, 16, 860–871, doi:10.3762/bjnano.16.65

• , materials are often studied as model systems, such as well-controlled supported thin films or nanostructures with simplified complexity compared to real systems, allowing the results from advanced experimental methods to be directly compared with theoretical simulations [7][8]. Thanks to their remarkable

• model systems allowed for a comparison with simulations that were extremely valuable for a reliable interpretation of the results. Ambient pressure XPS studies can be performed using a differentially pumped analyzer, which collects electrons at ambient pressure while the body of the analyzer remains

Supramolecular hydration structure of graphene-based hydrogels: density functional theory, green chemistry and interface application

• Hon Nhien Le,
• Duy Khanh Nguyen,
• Minh Triet Dang,
• Huyen Trinh Nguyen,
• Thi Bang Tam Dao,
• Trung Do Nguyen,
• Chi Nhan Ha Thuc and
• Van Hieu Le

Beilstein J. Nanotechnol. 2025, 16, 806–822, doi:10.3762/bjnano.16.61

• attraction. In the molecular dynamics simulations by Hasheminejad et al., the interfacial interaction energy between graphene oxide nanosheet and polylactide matrix is assigned to van der Waals forces and hydrogen bonds [62]. The bonding network of GO-SG-ZH nanosheets in the coating is another reason for the

Nanoscale capacitance spectroscopy based on multifrequency electrostatic force microscopy

• Pascal N. Rohrbeck,
• Lukas D. Cavar,
• Franjo Weber,
• Peter G. Reichel,
• Mara Niebling and
• Stefan A. L. Weber

Beilstein J. Nanotechnol. 2025, 16, 637–651, doi:10.3762/bjnano.16.49

• simulation results (Figure 5). Whereas the C″ signal only emerged from the noise at distances of less than 500 nm, the C′ signal shows a monotonic decrease over the full 3 μm of vertical travel. Compared to the simulations, the experimental C′ signal shows a slower decrease, indicating a stronger influence

• -frequency equipment with coaxial signal connections will be required. Our analytical simulations of the distance-dependent tip–sample capacitance showed that current models are not able to fully simulate the experimental data. Thus, to enable quantitative measurements of the tip–sample capacitance, further

• measures such as improved tip–sample models or full numerical simulations will be required. Here, the suppression of long-range electrostatic interactions in MFH-EFM could simplify the simulations. Thus, MFH-EFM could further improve quantitative studies on dielectric effects in nanoscale systems across

Nanomaterials in targeting amyloid-β oligomers: current advances and future directions for Alzheimer's disease diagnosis and therapy

• Shiwani Randhawa,
• Trilok Chand Saini,
• Manik Bathla,
• Rahul Bhardwaj,
• Rubina Dhiman and
• Amitabha Acharya

Beilstein J. Nanotechnol. 2025, 16, 561–580, doi:10.3762/bjnano.16.44

• , particularly those associated with NDs like AD. Research has demonstrated the ability of fullerenes to prevent the aggregation of Aβ peptides. For instance, molecular dynamics simulations have shown that fullerenes inhibit the fibrillation of the hydrophobic KLVFFAE peptide by disrupting the formation of β

• , thereby mitigating their neurotoxic effects [62][72]. In addition to their inhibitory capabilities, SWCNTs can serve as effective sensors for AβOs. Their ability to interfere with β-sheet formation, a hallmark of Aβ aggregation, has been confirmed through comprehensive molecular dynamics simulations

• modalities, including hydrophobic and hydrogen bonding, leading to substantial inhibition of peptide aggregation [79]. In another innovative approach, Javed et al. evaluated the inhibitory potential of casein-coated AuNPs against oligomers through molecular dynamics simulations. Their findings demonstrated

Water in nanoporous hexagonal boron nitride nanosheets: a first-principles study

• Juliana A. Gonçalves,
• Ronaldo J. C. Batista and
• Marcia C. Barbosa

Beilstein J. Nanotechnol. 2025, 16, 510–519, doi:10.3762/bjnano.16.39

• as a molecular sieve [22][23][24][25]. Theoretical studies using molecular dynamics simulations analyzed the impact of the partial charge on the h-BN membrane surface on water molecules and salt ion transport [26]. They noted that the Coulomb interaction between water molecules/ions and the channels

N₂⁺-implantation-induced tailoring of structural, morphological, optical, and electrical characteristics of sputtered molybdenum thin films

• Usha Rani,
• Kafi Devi,
• Divya Gupta and
• Sanjeev Aggarwal

Beilstein J. Nanotechnol. 2025, 16, 495–509, doi:10.3762/bjnano.16.38

• subsequent alterations in the material properties. As indicated by the TRIM simulations, a single nitrogen ion with this energy can produce 95 displacements, that is, 95 vacancies and no replacement collisions, before coming to a stop, as illustrated in Figure 1D. This significant level of displacement

Performance optimization of a microwave-coupled plasma-based ultralow-energy ECR ion source for silicon nanostructuring

• Joy Mukherjee,
• Safiul Alam Mollick,
• Tanmoy Basu and
• Tapobrata Som

Beilstein J. Nanotechnol. 2025, 16, 484–494, doi:10.3762/bjnano.16.37

• confirm the formation of nanostructures as observed from atomic force microscopy (AFM) images. The thickness of the amorphous thin layer is in good agreement with Monte Carlo simulations (SRIM) [31]. The article further investigates and explains the optical response (by UV–vis spectrometry) of the

• of the Ar-ion bombardment. The thickness of the amorphous layer is around 1.5 nm, which is consistent with the penetration depth of the Ar ions (1.2 nm) estimated by Monte Carlo simulations (Figure 5f) [31]. Therefore, the topographical image is consistent with the cross-sectional image, indicating a

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

• elastic adsorbate–substrate interactions in processes of nanostructuring of thin films during low-pressure condensation in the framework of theoretical approaches and numerical simulations. It will be shown that an increase in the elastic interaction strength induces first-order transitions and pattern

• different adsorbate–substrate bonding. Keywords: adsorbate–substrate interaction; adsorptive systems; numerical simulations; pattern formation; Introduction Innovative nanostructured thin films are widely exploited in ground-breaking developments regarding transistors [1][2], energy harvesting [3][4

• interactions in a homogeneous system. Next, we perform stability analysis and define a range of the strength of adsorbate–substrate interaction responsible for pattern formation during deposition. Finally, we present results of numerical simulations and discuss dynamics of surface patterns formation and

Size control of nanoparticles synthesized by pulsed laser ablation in liquids using donut-shaped beams

• Abdel Rahman Altakroury,
• Oleksandr Gatsa,
• Farbod Riahi,
• Zongwen Fu,
• Miroslava Flimelová,
• Andrei Samokhvalov,
• Stephan Barcikowski,
• Carlos Doñate-Buendía,
• Alexander V. Bulgakov and
• Bilal Gökce

Beilstein J. Nanotechnol. 2025, 16, 407–417, doi:10.3762/bjnano.16.31

• plasma temperature and pressure distribution differ from the plasma in a Gaussian beam. These significant differences in pressure and temperature distribution can play a role in the formation of bubbles with different morphology and different expansion/collapsing rates. Recent simulations of plasma

• the Gaussian beam. This indicates that the peak fluence of the donut-shaped pulse is lower by a factor of e = 2.7 than that of the Gaussian pulse under the same focusing conditions, in agreement with simulations [36]. To investigate the cavitation bubble formed by a single pulse employing the standard

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

• investigated for different values of magnetic susceptibility χ0. In Monte Carlo(MC) simulations, the thermalization of the system occurs quite quickly, with the energy plateauing after about 10,000 MC steps. However, subsequent calculations typically used 200,000 steps of the algorithm; statistics were

Preferential enrichment and extraction of laser-synthesized nanoparticles in organic phases

• Theo Fromme,
• Maximilian L. Spiekermann,
• Florian Lehmann,
• Stephan Barcikowski,
• Thomas Seidensticker and
• Sven Reichenberger

Beilstein J. Nanotechnol. 2025, 16, 254–263, doi:10.3762/bjnano.16.20

• to the two simultaneously occurring and commonly accepted nanoparticle formation mechanisms happening during the plume phase of LAL (picosecond to longer nanosecond time scale) [57][58]. Recent spatiotemporal, large-scale molecular dynamic simulations show that the thermal history of nanoparticles

• explanation is only a hypothesis and requires further investigation and computational simulations to verify. Furthermore, although this is beyond the scope of this study, it will be interesting to see how this trend changes when composition series of binary or multinary alloys with different average standard