Review: Electrostatically actuated nanobeam-based nanoelectromechanical switches – materials solutions and operational conditions

• Liga Jasulaneca,
• Jelena Kosmaca,
• Raimonds Meija,
• Jana Andzane and
• Donats Erts

Beilstein J. Nanotechnol. 2018, 9, 271–300, doi:10.3762/bjnano.9.29

• switches is mostly focused on developing experimental approaches for device prototype fabrication and testing in laboratory environment and theoretical modelling based on continuum mechanics and molecular dynamics, allowing simulations to be performed on the processes occurring in NEM switching devices and

Humidity-dependent wound sealing in succulent leaves of Delosperma cooperi – An adaptation to seasonal drought stress

• Olga Speck,
• Mark Schlechtendahl,
• Florian Borm,
• Tim Kampowski and
• Thomas Speck

Beilstein J. Nanotechnol. 2018, 9, 175–186, doi:10.3762/bjnano.9.20

• modelling by Konrad et al. [7] supports the idea that the new stress and strain distribution additionally increases leaf bending and improves the sealing of the incision. Leaf movement continues until a new equilibrium between the internal compressive and tensile stresses has been established. In the case

• equilibrium between the internal compressive and tensile stresses has been established [2][7]. The dimensions and mechanical properties measured or calculated for the five different tissue types found in D. cooperi leaves also corroborate the results of modelling the existence of such a supporting

Electrical properties of a liquid crystal dispersed in an electrospun cellulose acetate network

• Doina Manaila Maximean,
• Octavian Danila,
• Pedro L. Almeida and
• Constantin Paul Ganea

Beilstein J. Nanotechnol. 2018, 9, 155–163, doi:10.3762/bjnano.9.18

• impedance shift to higher frequencies (Figure 8). The Cole–Cole [32] diagrams, Z″ = f(Z′), are presented in Figure 9. The semicircular shapes of the diagrams allow for modelling the raw data with a theoretical three-element electric circuit model, consisting of a series resistance, a parallel resistance and

Combined scanning probe electronic and thermal characterization of an indium arsenide nanowire

• Tino Wagner,
• Fabian Menges,
• Heike Riel,
• Bernd Gotsmann and
• Andreas Stemmer

Beilstein J. Nanotechnol. 2018, 9, 129–136, doi:10.3762/bjnano.9.15

• -thermal effects on nanoscale devices is not matched with an in-depth understanding of the relevant effects and material properties. Not all parameters needed for faithful device modelling are readily available, in particular since many of these are size-dependent quantities. Hence, there is an increasing

Atomic layer deposition and properties of ZrO₂/Fe₂O₃ thin films

• Kristjan Kalam,
• Helina Seemen,
• Peeter Ritslaid,
• Mihkel Rähn,
• Aile Tamm,
• Kaupo Kukli,
• Aarne Kasikov,
• Joosep Link,
• Raivo Stern,
• Salvador Dueñas,
• Helena Castán and
• Héctor García

Beilstein J. Nanotechnol. 2018, 9, 119–128, doi:10.3762/bjnano.9.14

• modelling of samples in the range of 300–1000 nm. An X-ray fluorescence (XRF) spectrometer (Rigaku, ZSX 400) with the software program ZSX (version 5.55) was used to evaluate the elemental composition of the films. The surface morphology of the films and a cross-section of an ALD coated stack were evaluated

Design of photonic microcavities in hexagonal boron nitride

• Sejeong Kim,
• Milos Toth and
• Igor Aharonovich

Beilstein J. Nanotechnol. 2018, 9, 102–108, doi:10.3762/bjnano.9.12

• shown in Figure 1d, the Q-factor of the mode starts to saturate at H ≈ 12 because the Q-factor is limited not only by the in-plane component, but also by radiation loss. Considering both the Q-factor and scaling of the simulation time with domain size, we fixed H at 12 for subsequent modelling

• -standing structure is preferred, as in the case of the 2D photonic crystals presented earlier. We also consider the absorption losses in the cavity. Figure 4a shows the effect of the absorption by the cavity material. Many FDTD modelling studies of semiconductor photonic crystals include only the real part

Correction: Modelling focused electron beam induced deposition beyond Langmuir adsorption

• Dédalo Sanz-Hernández and
• Amalio Fernández-Pacheco

Beilstein J. Nanotechnol. 2017, 8, 2591–2591, doi:10.3762/bjnano.8.259

Involvement of two uptake mechanisms of gold and iron oxide nanoparticles in a co-exposure scenario using mouse macrophages

• Dimitri Vanhecke,
• Dagmar A. Kuhn,
• Dorleta Jimenez de Aberasturi,
• Sandor Balog,
• Ana Milosevic,
• Dominic Urban,
• Diana Peckys,
• Niels de Jonge,
• Wolfgang J. Parak,
• Alke Petri-Fink and
• Barbara Rothen-Rutishauser

Beilstein J. Nanotechnol. 2017, 8, 2396–2409, doi:10.3762/bjnano.8.239

• monitored by dynamic light scattering and the dose deposited onto the cell surface was determined by a modelling approach. The murine macrophage cell line J774A.1 was then used to study uptake and intracellular fate by means of laser scanning microscopy (LSM), environmental scanning electron microscopy

The interplay between spin densities and magnetic superexchange interactions: case studies of mono- and trinuclear bis(oxamato)-type complexes

• Azar Aliabadi,
• Bernd Büchner,
• Vladislav Kataev and
• Tobias Rüffer

Beilstein J. Nanotechnol. 2017, 8, 2245–2256, doi:10.3762/bjnano.8.224

• included for the modelling of continuous wave (CW) ESR spectra. Finally, gN and μN denote the nuclear g-factor and the nuclear magneton, respectively. CW ESR measurements were performed at room temperature with a Bruker EMX spectrometer operating at the X-band (10 GHz) frequency. ESR spectra were processed

Modelling focused electron beam induced deposition beyond Langmuir adsorption

• Dédalo Sanz-Hernández and
• Amalio Fernández-Pacheco

Beilstein J. Nanotechnol. 2017, 8, 2151–2161, doi:10.3762/bjnano.8.214

• ], just to cite a few. Moreover, significant effort is now dedicated to enhance the predictability of FEBID processes by means of modelling, which means a shift from a trial-and-error approach, to a quantitative, model-guided 3D nanoprinting method. This progress includes the development of a Monte Carlo

• temperatures and for heterogeneous substrates. It also enables the modelling of FEBID processes occurring on activated deposit surfaces, where both chemisorption and physisorption processes are relevant, opening a new route to interpret results where high purity deposits have been reported. The approximations

Functional materials for environmental sensors and energy systems

• Michele Penza,
• Anita Lloyd Spetz,
• Albert Romano-Rodriguez and
• Meyya Meyyappan

Beilstein J. Nanotechnol. 2017, 8, 2015–2016, doi:10.3762/bjnano.8.201

• sensor/gas interaction, modelling of materials, devices, sensor systems and energy systems, and functional applications of environmental sensors and energy systems. Michele Penza, Anita Lloyd Spetz, Albert Romano-Rodriguez and Meyya Meyyappan Brindisi, Linkoping, Barcelona and Moffett Field, May 2017

(Metallo)porphyrins for potential materials science applications

• Lars Smykalla,
• Carola Mende,
• Michael Fronk,
• Pablo F. Siles,
• Michael Hietschold,
• Georgeta Salvan,
• Dietrich R. T. Zahn,
• Oliver G. Schmidt,
• Tobias Rüffer and
• Heinrich Lang

Beilstein J. Nanotechnol. 2017, 8, 1786–1800, doi:10.3762/bjnano.8.180

• H2PP (without methoxy groups), the line shape is similar but the amplitude of the bands is reduced, indicating that the methoxy groups thus do not suppress the vibronic coupling. For modelling the Q band of NiTPP(OMe)4 and CuTPP(OMe)4 in the MCD spectra, we employed two A-terms with energy positions

• modelling with Faraday terms. Reproduced with permission from [16], copyright 2014 Elsevier. Notice: Here mentioned H2TMPP, CuTMPP and NiTMPP refer to H2TPP(OMe)4, NiTPP(OMe)4 and CuTPP(OMe)4, repectively, as displayed in Scheme 1. Results of STM measurements: (a,b) Formation of small islands at

Laser processing of thin-film multilayer structures: comparison between a 3D thermal model and experimental results

• Babak B. Naghshine and
• Amirkianoosh Kiani

Beilstein J. Nanotechnol. 2017, 8, 1749–1759, doi:10.3762/bjnano.8.176

• can have many potential applications including patterning the cell growth for biomedical applications and controlling the grain size in fabrication of polycrystalline silicon (poly-Si) thin-film transistors (TFTs). Keywords: 3D transient modelling; heat transfer; laser materials processing

• the surface for biosensor fabrication is one of the applications that has not been fully explored yet. Modelling this process can be helpful in many ways. For instance, controlling the grain size of the resulting poly-Si layer is vital in the process of fabricating poly-Si TFTs [6][7]. This can be

• application is finding the best laser parameters and layer thickness for controlling the size of heat affected zone and ablated zone for patterning the cell, as mentioned in the previous paragraph. Despite the necessity for thermal modelling of this process, there have been very few efforts in this area so

Effect of the fluorination technique on the surface-fluorination patterning of double-walled carbon nanotubes

• Lyubov G. Bulusheva,
• Yuliya V. Fedoseeva,
• Emmanuel Flahaut,
• Jérémy Rio,
• Christopher P. Ewels,
• Victor O. Koroteev,
• Gregory Van Lier,
• Denis V. Vyalikh and
• Alexander V. Okotrub

Beilstein J. Nanotechnol. 2017, 8, 1688–1698, doi:10.3762/bjnano.8.169

• show here that the C–F bond strength is sensitive to surroundings in the addition pattern, which can be controlled through the fluorination method. The preferable fluorine distributions on the DWCNT surface are proposed from quantum-chemical modelling of the fluorine near-edge X-ray absorption fine

• distance between the components in the F 1s spectrum of plasma-fluorinated DWCNTs and two fluorination patterns chosen from the modelling of NEXAFS F K-edge. Despite difference of almost 100% in fluorine content between the DWCNT samples fluorinated with CF4 plasma and F2 (Table 1), the main peaks in their

Oxidative stabilization of polyacrylonitrile nanofibers and carbon nanofibers containing graphene oxide (GO): a spectroscopic and electrochemical study

• İlknur Gergin,
• Ezgi Ismar and
• A. Sezai Sarac

Beilstein J. Nanotechnol. 2017, 8, 1616–1628, doi:10.3762/bjnano.8.161

• calculated measurements were fitted by equivalent circuit modelling. EIS plots with measured and calculated data are shown in Figure 6. An excellent agreement between experimental results and simulation was found with χ2 ≈ 5·10−4 (χ2 is function defined as the sum of the squares of the residuals). Rs is the

• . The inclined line corresponding to diffusion processes at low frequencies region appears only in PAN/GO(1). The charge-transfer resistances (Rct) were evaluated by using equivalent circuit modelling. Rct is attributed to the pore size of the electrodes. The values of Rct of Ox.PAN, Ox.PAN/GO(1) and

• electrode surfaces at low frequencies [24]. The parameters of the simulated equivalent circuit models obtained from the Nyquist and Bode phase plots are given in Table 1. Fitting with equivalent circuit modelling exhibited a good correlation between the calculated and experimental values with χ2 values

Deposition of exchange-coupled dinickel complexes on gold substrates utilizing ambidentate mercapto-carboxylato ligands

• Martin Börner,
• Laura Blömer,
• Marcus Kischel,
• Peter Richter,
• Georgeta Salvan,
• Dietrich R. T. Zahn,
• Pablo F. Siles,
• Maria E. N. Fuentes,
• Carlos C. B. Bufon,
• Daniel Grimm,
• Oliver G. Schmidt,
• Daniel Breite,
• Bernd Abel and
• Berthold Kersting

Beilstein J. Nanotechnol. 2017, 8, 1375–1387, doi:10.3762/bjnano.8.139

• with absolute ethanol and dried in a stream of ultrahigh purity nitrogen. The modelling environments CompleteEASE and WVASE32 (both J. A. Woollam Co., Inc.) were used for data evaluation. The dielectric function of a pristine gold substrate, measured and modelled in agreement with database values, was

A top-down approach for fabricating three-dimensional closed hollow nanostructures with permeable thin metal walls

• Carlos Angulo Barrios and
• Víctor Canalejas-Tejero

Beilstein J. Nanotechnol. 2017, 8, 1231–1237, doi:10.3762/bjnano.8.124

• maximum at λ ≈ 700 nm. This supports the fact that no SU-8 material remains inside the nanocages and confirms the appropriateness of numerical modelling to analyze the measured optical response of the structure. Cross-sectional distributions (at y = 0) of the RCWA-calculated x-component of the electric

• nanostructure array. The aperture angle was 5.7°, which restricts light detection to zero-order diffraction. The reflectance spectrum from a bare Al film was used as a reference [9]. Hollow nanocage array modelling The zero-order reflection diffraction efficiency and field distributions of a 600 nm period

Atomic structure of Mg-based metallic glass investigated with neutron diffraction, reverse Monte Carlo modeling and electron microscopy

• Rafał Babilas,
• Dariusz Łukowiec and
• Laszlo Temleitner

Beilstein J. Nanotechnol. 2017, 8, 1174–1182, doi:10.3762/bjnano.8.119

• the short-range order. Keywords: electron microscopy; metallic glasses; neutron diffraction; reverse Monte Carlo modelling; short-range order; Introduction Magnesium-based metallic glasses are often described as the most sought after alloys given the increasing demand for light weight and low cost

Structural properties and thermal stability of cobalt- and chromium-doped α-MnO₂ nanorods

• Romana Cerc Korošec,
• Polona Umek,
• Alexandre Gloter,
• Jana Padežnik Gomilšek and
• Peter Bukovec

Beilstein J. Nanotechnol. 2017, 8, 1032–1042, doi:10.3762/bjnano.8.104

• was replaced with the corresponding dopant ion. Due to the low dopant concentration (Figure 4a) all neighboring metal ions are expected to be manganese, the contribution of dopant neighbors is below the detection limit of the analysis. In the first modelling cycle, each model comprised the strongest

• , respectively (a); TG-MS curve of Co-90 (b) and TG-MS curve of ND-90 (c). Reaction conditions, chemical composition, and structural parameters for the undoped and doped α-MnO2 samples. Best fit parameters obtained by modelling the EXAFS spectra. The uncertainty intervals in units of the last decimal place are

Scaling law to determine peak forces in tapping-mode AFM experiments on finite elastic soft matter systems

• Horacio V. Guzman

Beilstein J. Nanotechnol. 2017, 8, 968–974, doi:10.3762/bjnano.8.98

• ). One strategy to reduce the order of the cascade function (Equation 5) is to base our modelling on top of one available analytical approach to determine Fts in dynamic AFM [21][42][43]. We have applied the virial–dissipation method [19] to determine an initial equation for the peak force as a function

Functional dependence of resonant harmonics on nanomechanical parameters in dynamic mode atomic force microscopy

• Federico Gramazio,
• Matteo Lorenzoni,
• Francesc Pérez-Murano,
• Enrique Rull Trinidad,
• Urs Staufer and
• Jordi Fraxedas

Beilstein J. Nanotechnol. 2017, 8, 883–891, doi:10.3762/bjnano.8.90

• = 14.2 nm). The same argument applies for the case of increasing E values. It means that the previous modelling of the system is necessary in order to select the appropriate experimental conditions. Let us now explore in detail the dependence of A6 as a function of R, E and A1. The corresponding curves

• derived results to validate the modelling and simulations described in previous sections. Dependence of the amplitude of the 6th harmonic on tip radius Let us first explore the shape of the experimental approach curves and compare to the calculations shown in Figure 1. Figure 4 shows simultaneously

• , this will be more effective when sharp (new) tips are imaging stiff samples. Instead, in order to measure the surface Young modulus the modelling shows that the best results will be obtained using larger tip radius (10–15 nm) in order to have an almost constant radius-dependent contribution. So far the

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C₆₀ fullerene using Nano-QSPR

• Piotr Urbaszek,
• Agnieszka Gajewicz,
• Celina Sikorska,
• Maciej Haranczyk and
• Tomasz Puzyn

Beilstein J. Nanotechnol. 2017, 8, 752–761, doi:10.3762/bjnano.8.78

• number and type of substitution. The investigations have been performed with quantitative structure–property relationship modelling for nanomaterials (Nano-QSPR) – a method of defining a mathematical function that connects the structure of the investigated nanomaterial (fullerene) and the POPs (dioxin

Calculating free energies of organic molecules on insulating substrates

• Julian Gaberle,
• David Z. Gao and
• Alexander L. Shluger

Beilstein J. Nanotechnol. 2017, 8, 667–674, doi:10.3762/bjnano.8.71

• status of NC-AFM studies of self-assembled films on insulating surfaces has recently been reviewed in [22]. However, theoretical modelling of the film growth processes still proves challenging. Most experiments are performed at room temperature, where entropic contributions can be significant [23][24

• ]. Previous theoretical studies focussed on modelling adsorption [21][25][26], diffusion [27][28] and simple processes such as the flipping of a molecule [29]. The probability assigned to each of these processes is governed by the change in free energy ΔG, which can be derived from statistical mechanics [30

• is larger than the dimer-formation enthalpy. These results highlight the importance of accurate predictions of entropy changes and free energy in modelling the early stages of self-assembly and in determining film morphologies. In many cases the interaction between molecules and between molecules and

Dispersion of single-wall carbon nanotubes with supramolecular Congo red – properties of the complexes and mechanism of the interaction

• Anna Jagusiak,
• Barbara Piekarska,
• Tomasz Pańczyk,
• Małgorzata Jemioła-Rzemińska,
• Elżbieta Bielańska,
• Barbara Stopa,
• Grzegorz Zemanek,
• Janina Rybarska,
• Irena Roterman and
• Leszek Konieczny

Beilstein J. Nanotechnol. 2017, 8, 636–648, doi:10.3762/bjnano.8.68

• between CR and a carbon nanotube) and to the ones indirectly bound as elements of the supramolecular assembly. Since carbon nanotubes are conductors, they can serve as donors of electrons to CR, which switches to the quinoid form (Figure 2) and changes colour. Molecular modelling analysis [39] showed how

Graphene functionalised by laser-ablated V₂O₅ for a highly sensitive NH₃ sensor

• Margus Kodu,
• Artjom Berholts,
• Tauno Kahro,
• Mati Kook,
• Peeter Ritslaid,
• Helina Seemen,
• Tea Avarmaa,
• Harry Alles and
• Raivo Jaaniso

Beilstein J. Nanotechnol. 2017, 8, 571–578, doi:10.3762/bjnano.8.61

• physical aspect of modelling the graphene sensor response is discussed more exhaustively by Jaaniso et al. [29]. In the case of pristine graphene, the response and recovery could be fitted with a single exponential function (Equation 1), which yielded characteristic times 578 s and 738 s for the response