Synthesis of silver–palladium Janus nanoparticles using co-sputtering of independent sources: experimental and theorical study

• Maria J. Martínez-Carreón,
• Francisco Solís-Pomar,
• Abel Fundora,
• Claudio D. Gutiérrez-Lazos,
• Sergio Mejía-Rosales,
• Hector N. Fernández-Escamilla,
• Jonathan Guerrero-Sánchez,
• Manuel F. Meléndrez and
• Eduardo Pérez-Tijerina

Beilstein J. Nanotechnol. 2024, 15, 808–816, doi:10.3762/bjnano.15.67

• , confirmed the presence of Janus-type nanostructures. Results of molecular dynamics and TEM simulations show that the differences between the crystalline structures of the Pd and Ag regions observed in the TEM micrographs can be explained by small mismatches in the orientations of the two regions of the

• carried out by molecular dynamics and TEM simulations to investigate the atomic ordering and orientation of the crystal lattice, while a detailed description of the atomic arrangement at the interface between the two metals was obtained using density functional theory (DFT). Experimental In this work, the

• methods. MD and electron microscopy simulations show that the features observed in the electron micrographs of real Janus AgPd BNPs can be fairly reproduced if the Ag lattice is slightly rotated with respect to the Pd lattice. Using DFT approximations, we have proposed a set of structural models that

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

• advanced reactive force field molecular dynamics simulations [20]. Here we focus on two electron-induced dissociative channels of Fe(CO)4MA, namely, dissociative ionization and dissociative electron attachment (DEA). We focus on the electron energy range below 20 eV. Data from two complementary

Effect of repeating hydrothermal growth processes and rapid thermal annealing on CuO thin film properties

• Monika Ozga,
• Eunika Zielony,
• Aleksandra Wierzbicka,
• Anna Wolska,
• Marcin Klepka,
• Marek Godlewski,
• Bogdan J. Kowalski and
• Bartłomiej S. Witkowski

Beilstein J. Nanotechnol. 2024, 15, 743–754, doi:10.3762/bjnano.15.62

• –Lorentzian functional GL(30) was applied during the simulations. Raman scattering measurements were performed under ambient conditions and room temperature using a T64000 Horiba Jobin-Yvon spectrometer configured in a backscattering geometry with a 1800 gr/mm grating and a microscope objective of 100

Level set simulation of focused ion beam sputtering of a multilayer substrate

• Alexander V. Rumyantsev,
• Nikolai I. Borgardt,
• Roman L. Volkov and
• Yuri A. Chaplygin

Beilstein J. Nanotechnol. 2024, 15, 733–742, doi:10.3762/bjnano.15.61

• backscattered ions on the milling process. Monte Carlo simulations were applied to produce tabulated data on the angular distributions of sputtered atoms and backscattered ions. Two sets of test structures including narrow trenches and rectangular boxes with different aspect ratios were experimentally prepared

• only possible for shallow structures milled under constant sputtering yield conditions [18][19][20]. For more complex cases, one has to turn to various kinds of computer simulations that considerably facilitate structure fabrication using FIB. For example, surface evolution was studied using segment

• -based [21], level set [22][23][24], and Monte Carlo [25] methods. The most commonly studied materials are monocrystalline silicon [21][22][23] and amorphous silicon dioxide [24][25] because of their technological importance in microelectronics. More complex simulations of multilayer milling, which need

Reduced subthreshold swing in a vertical tunnel FET using a low-work-function live metal strip and a low-k material at the drain

• Kalai Selvi Kanagarajan and
• Dhanalakshmi Krishnan Sadhasivan

Beilstein J. Nanotechnol. 2024, 15, 713–718, doi:10.3762/bjnano.15.59

• drain. Molybdenum is implanted in the oxide layer (HfO2) near the source–channel interface and connected to gate to make it live. The work function of molybdenum is 4.53 eV. Table 1 lists the physical dimensions of the tool used for technology computer-aided design simulations. The suggested VTFET is

• for the simulations. The same models and experimental data have been used for the simulation of proposed structure, and the results are compared. Results and Discussion Electron concentration and electric field The electron concentration for a VTFET with dual low-work-function live strip and a low-k

Elastic modulus of β-Ga₂O₃ nanowires measured by resonance and three-point bending techniques

• Annamarija Trausa,
• Sven Oras,
• Sergei Vlassov,
• Mikk Antsov,
• Tauno Tiirats,
• Andreas Kyritsakis,
• Boris Polyakov and
• Edgars Butanovs

Beilstein J. Nanotechnol. 2024, 15, 704–712, doi:10.3762/bjnano.15.58

• error simulations of the geometry uncertainty indicate that a ±25 nm width error (SEM method) and ±15 nm height error (AFM method) for NWs with 100 nm width/height corresponds to the observed scattering in elastic modulus values in Figure 4. Finally, point defects, such as oxygen vacancies, can increase

Enhancing higher-order modal response in multifrequency atomic force microscopy with a coupled cantilever system

• Wendong Sun,
• Jianqiang Qian,
• Yingzi Li,
• Yanan Chen,
• Zhipeng Dou,
• Rui Lin,
• Peng Cheng,
• Xiaodong Gao,
• Quan Yuan and
• Yifan Hu

Beilstein J. Nanotechnol. 2024, 15, 694–703, doi:10.3762/bjnano.15.57

• other enhancement methods, making it easier to be widely used. However, previous studies were limited to theoretical analysis and preliminary simulations regarding ideal conditions. In this paper, we undertake a more comprehensive investigation of the coupled system, taking into account the influence of

• imaging. The structure of this model is simple, eliminating the need for micromachining of the cantilever, resulting in low cost, and facilitating widespread utilization. However, previous studies have only focused on theoretical analysis and preliminary simulations under ideal conditions. The enhancement

• . The model is mainly used to enhance the higher-order modes of the AFM cantilever. In order to approach practical application, the influence of the clamping probe and the size of the excitation surface on the modal response of the cantilever was considered in finite element simulations and experiments

Laser synthesis of nanoparticles in organic solvents – products, reactions, and perspectives

• Theo Fromme,
• Sven Reichenberger,
• Katharine M. Tibbetts and
• Stephan Barcikowski

Beilstein J. Nanotechnol. 2024, 15, 638–663, doi:10.3762/bjnano.15.54

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

• relies both on numerical simulations and experimental results. A thorough analysis of the thermal noise power spectral density of the qPlus fluctuations leads to an estimated stiffness of the first flexural eigenmode of ≃2000 N/m, with a maximum uncertainty of 10%, whereas the static stiffness of the

• the probe can be modeled as that of an equivalent SHO. Our framework combines experimental measurements performed with qPlus sensors in UHV at 9.8 K and numerical simulations of the thermal fluctuations of a SHO under equivalent conditions. The numerical results permit to refine the experimental

• noise measurement, along with our assumptions. Section “Numerical simulations” details the numerical approach to the stiffness calibration. Section “Experimental results” presents the experimental results, which are discussed in section “Discussion” before the Conclusion. Four Supporting Information

Sidewall angle tuning in focused electron beam-induced processing

• Sangeetha Hari,
• Willem F. van Dorp,
• Johannes J. L. Mulders,
• Piet H. F. Trompenaars,
• Pieter Kruit and
• Cornelis W. Hagen

Beilstein J. Nanotechnol. 2024, 15, 447–456, doi:10.3762/bjnano.15.40

• drawn in red and the bottom part in blue. All dimensions are in arbitrary units. Simulations showing the evolution of the half-Gaussian-shaped sidewall (with σ = 200) of a deposit of height 600 as a function of the etch position. The red lines indicate the top part, as etched from above, and the blue

Heat-induced morphological changes in silver nanowires deposited on a patterned silicon substrate

• Elyad Damerchi,
• Sven Oras,
• Edgars Butanovs,
• Allar Liivlaid,
• Mikk Antsov,
• Boris Polyakov,
• Annamarija Trausa,
• Veronika Zadin,
• Andreas Kyritsakis,
• Loïc Vidal,
• Karine Mougin,
• Siim Pikker and
• Sergei Vlassov

Beilstein J. Nanotechnol. 2024, 15, 435–446, doi:10.3762/bjnano.15.39

• process, fragmentation in either adhered or suspended parts can dominate. Experiments were supported by finite element method and molecular dynamics simulations. Keywords: diffusion; finite element method; heat treatment; molecular dynamics simulations; morphological changes; scanning electron microscopy

• were then heated to different temperatures in air, and the behavior of suspended as opposed to the adhered part under heating was compared. Experiments are supplemented with molecular dynamics (MD) and finite element method (FEM) simulations. Materials and Methods Preparation of samples Silver NWs with

• ) experiments were performed to study the effect of heat treatment on the inner structure of NWs. Two transmission electron microscopes (Tecnai GF20, FEI and JEOL microscope, model ARM-200F) were used at a 200 kV acceleration voltage. Simulations The extent and distribution of mechanical stresses induced by

Unveiling the nature of atomic defects in graphene on a metal surface

• Karl Rothe,
• Nicolas Néel and
• Jörg Kröger

Beilstein J. Nanotechnol. 2024, 15, 416–425, doi:10.3762/bjnano.15.37

• the tip–graphene and graphene–surface hybridization [23][65]. Therefore, simulations of the non-equilibrium charge transport across the junction are required for a detailed understanding of the observed current traces. Conclusion A combination of STM and AFM experiments unravels the nature of defects

Investigating ripple pattern formation and damage profiles in Si and Ge induced by 100 keV Ar⁺ ion beam: a comparative study

• Indra Sulania,
• Harpreet Sondhi,
• Tanuj Kumar,
• Sunil Ojha,
• G R Umapathy,
• Ambuj Mishra,
• Ambuj Tripathi,
• Richa Krishna,
• Devesh Kumar Avasthi and
• Yogendra Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 367–375, doi:10.3762/bjnano.15.33

• microscopy (AFM) [3] and transmission electron microscopy (TEM), it is possible to visualize these features. Formation of dots, ripples, and pits have been well studied using IBS [4][5][6][7][8][9]. In the last few decades, numerous efforts have been made to understand IBS through simulations [10] as well as

Nanomedicines against Chagas disease: a critical review

• Maria Jose Morilla,
• Kajal Ghosal and
• Eder Lilia Romero

Beilstein J. Nanotechnol. 2024, 15, 333–349, doi:10.3762/bjnano.15.30

• simulations showed that reducing the cumulative dose from 2.5 mg/kg/12 h to 2.5 mg/kg/24 h rendered BNZ plasma concentrations within the accepted therapeutic range of 3 to 6 mg/L [22]. This is an important point: When BNZ toxicity is attributed to overdosing, it could be simply reduced by reducing its dose

Design, fabrication, and characterization of kinetic-inductive force sensors for scanning probe applications

• August K. Roos,
• Ermes Scarano,
• Elisabet K. Arvidsson,
• Erik Holmgren and
• David B. Haviland

Beilstein J. Nanotechnol. 2024, 15, 242–255, doi:10.3762/bjnano.15.23

• . We present design simulations including mechanical finite-element modeling of surface strain and electromagnetic simulations of meandering nanowires with large kinetic inductance. We discuss a lumped-element model of the force sensor and describe the role of an additional shunt inductance for tuning

• increases because of increasing quasiparticle population, leading us to select Nb-Ti-N with its high (bulk) critical temperature Tc ≈ 14 K. Mechanical simulations Several considerations determine the design of the Si-N cantilever in the scanning force sensor. The Si-N plate thickness is fixed when

• large enough to realize the desired kinetic inductance. To understand this constraint, we turn to electromagnetic simulations. Electromagnetic simulations In this work, we explore thin-film nanowires of width w = 75, 100, and 200 nm, which we can fabricate with a high degree of uniformity using electron

Multiscale modelling of biomolecular corona formation on metallic surfaces

• Parinaz Mosaddeghi Amini,
• Ian Rouse,
• Julia Subbotina and
• Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

• modelling of the interaction between various surfaces, that is (100), (110), and (111), of fcc aluminum with the most abundant milk proteins and lactose. Our approach combines atomistic molecular dynamics, a coarse-grained model of protein adsorption, and kinetic Monte Carlo simulations to predict the

• each selected protein immobilized on different fcc planes of the aluminum surface. These heatmaps for individual proteins are acquired through UnitedAtom (UA) simulations [24][25]. While the UA method has been parameterized for a range of rigid surfaces, including metals (Ag, Au, Cu, and Fe), oxides

• surfaces derived from explicit all-atom molecular dynamics simulations utilizing a previously established scheme [2][24][28]. These PMFs provide the input required to determine the adsorption energies between milk proteins and aluminum surfaces by using multiscale UA CG model, spanning from the atomistic

CdSe/ZnS quantum dots as a booster in the active layer of distributed ternary organic photovoltaics

• Gabriela Lewińska,
• Piotr Jeleń,
• Zofia Kucia,
• Maciej Sitarz,
• Łukasz Walczak,
• Bartłomiej Szafraniak,
• Jerzy Sanetra and
• Konstanty W. Marszalek

Beilstein J. Nanotechnol. 2024, 15, 144–156, doi:10.3762/bjnano.15.14

• was determined. The resistivity of the layers was determined using impedance spectroscopy. Simulations (General-Purpose Photovoltaic Device Model) showed a performance improvement in the cells with quantum dots of 0.36–1.45% compared to those without quantum dots. Keywords: efficiency; luminescence

• :P3HT:PC71BM are characterized by significantly lower resistance compared to P3HT:PC71BM, which may be responsible for the higher ionic or electronic conductivity of these layers. A similar effect was reported by Zhao et al. and Zang and co-workers [55][56]. Simulations and analyses of ternary OPVs The energy

• QDs in ternary systems. Information about the materials taken from measurements was entered into the material database of GPVDM. A customized blend of P3HT:PC71BM was also used in the simulations. Simulations of current and voltage characteristics were performed (Figure 11). The change in performance

Enhanced feedback performance in off-resonance AFM modes through pulse train sampling

• Mustafa Kangül,
• Navid Asmari,
• Santiago H. Andany,
• Marcos Penedo and
• Georg E. Fantner

Beilstein J. Nanotechnol. 2024, 15, 134–143, doi:10.3762/bjnano.15.13

• Ki. Through simulations based on Equation 2 we have determined that the ORT period and the delay impose a limit for the integral gain value (experimental results in Figure S1B, Supporting Information File 1). In order to prevent closed-loop oscillations caused by the resonance peak, it is necessary

• performance of the pulse sampling method improves the material contrast at the same surface speeds. Scale bar 10 μm. Supporting Information Supporting Information File 2: Simulations on unity feedback closed-loop ORT controller and closed-loop bandwidth measurements of both methods. Funding This work was

Measurements of dichroic bow-tie antenna arrays with integrated cold-electron bolometers using YBCO oscillators

• Leonid S. Revin,
• Dmitry A. Pimanov,
• Alexander V. Chiginev,
• Anton V. Blagodatkin,
• Viktor O. Zbrozhek,
• Andrey V. Samartsev,
• Anastasia N. Orlova,
• Dmitry V. Masterov,
• Alexey E. Parafin,
• Victoria Yu. Safonova,
• Anna V. Gordeeva,
• Andrey L. Pankratov,
• Leonid S. Kuzmin,
• Anatolie S. Sidorenko,
• Silvia Masi and
• Paolo de Bernardis

Beilstein J. Nanotechnol. 2024, 15, 26–36, doi:10.3762/bjnano.15.3

• frequency channels occupy areas within the left and right semicircles, respectively (Figure 1a). In each semicircle there are 44 CEBs with bow-tie dipole antennas. The receiving elements are located on the side of the substrate that is turned to the incident radiation. Numerical simulations of the frequency

• response of the two frequency channels of the receiving matrix were carried out. During the simulations, the antenna array was irradiated with the fundamental mode H11 of a round waveguide port with a diameter equal to the diameter of the opening of a back-to-back horn directed towards the receiving array

TEM sample preparation of lithographically patterned permalloy nanostructures on silicon nitride membranes

• Joshua Williams,
• Michael I. Faley,
• Joseph Vimal Vas,
• Peng-Han Lu and
• Rafal E. Dunin-Borkowski

Beilstein J. Nanotechnol. 2024, 15, 1–12, doi:10.3762/bjnano.15.1

• in Py nanodisks [1][2] with independent polarity and helicity [3]. Since then, many studies have been done on manipulating magnetic vortices inside Py nanodisks using micromagnetic simulations [4][5][6] and a variety of magnetic measurement techniques including magnetic force microscopy [7

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

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

• differences between the polytypes are very small [14][25]. In contrast, molecular dynamics simulations of metallic nanowires show a phase transformation from fcc to hcp below a critical diameter [26]. These findings support the feasibility of obtaining new hexagonal structures under conditions where surface

Spatial mapping of photovoltage and light-induced displacement of on-chip coupled piezo/photodiodes by Kelvin probe force microscopy under modulated illumination

• Zeinab Eftekhari,
• Nasim Rezaei,
• Hidde Stokkel,
• Jian-Yao Zheng,
• Andrea Cerreta,
• Ilka Hermes,
• Minh Nguyen,
• Guus Rijnders and
• Rebecca Saive

Beilstein J. Nanotechnol. 2023, 14, 1059–1067, doi:10.3762/bjnano.14.87

• actuators of varying sizes, namely A, B, C, and D. Only one-quarter of the devices were mapped, considering their symmetry. The experiment focused on studying the size-dependent displacement of these devices. Simulations We used COMSOL Multiphysics for the finite element method (FEM) simulations of our

• devices. Solid mechanics and electrostatics modules were coupled to facilitate the piezoelectricity calculations. As shown in Figure 2, the symmetry condition is used to reduce the computation cost of the simulations. Analogous to our AFM and KPFM experiments, the sample edges are fixed. Additionally, the

• displacement values for each point in Figure 3a by the corresponding photovoltage in Figure 3b. This analysis confirms that despite fluctuations in the photovoltage, the membrane deformation follows the trend that is expected from simulations. It demonstrates that the maximal displacement that occurred at 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

• ) as a reference can provide precise 2D structures, including intermolecular distances and molecular orientations. To study the adsorption of alkane on graphite, computational simulations such as molecular mechanics and DFT calculations with the local density approximation have been applied [48][49][53

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

• contaminant, water, sputtered by ultralow-energy ion beams, ranging from 50 to 500 eV and covering the full range of incidence angles, using molecular dynamics simulations with the ReaxFF potential. We show that the expected sputtering yield trends are maintained down to the lowest sputtering yields. A region

• . Keywords: angle dependency; argon; contamination; energy dependency; ion bombardment; low energy; molecular dynamics; silicon; simulations; water; Introduction Low-energy ion beams offer substantial improvements and possibilities to reduce the damage production on the surface of samples [1][2]. In recent

• -energy ion beams are hard to obtain experimentally, such beams are easy to model in simulations. In this paper, by studying the differences between higher (500 eV) and lower (50 eV) impact energies, we will show the differences in the amorphization processes. As expected, higher energies increase