Controllable physicochemical properties of WO_x thin films grown under glancing angle

• Rupam Mandal,
• Aparajita Mandal,
• Alapan Dutta,
• Rengasamy Sivakumar,
• Sanjeev Kumar Srivastava and
• Tapobrata Som

Beilstein J. Nanotechnol. 2024, 15, 350–359, doi:10.3762/bjnano.15.31

• on the variation in work function with thickness for GLAD-grown WOx films in this study is valuable towards potential device applications, where work function optimization among consecutive layers is imperative. Moreover, the adopted rf sputtering technique in the present work ensures reduced surface

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

• /bjnano.15.28 Abstract The structural and electronic properties of zinc clusters (Znn) for a size range of n = 2–15 are studied using density functional theory. The particle swarm optimization algorithm is employed to search the structure and to determine the ground-state structure of the neutral Zn

• optimization (PSO), combined with density functional approximations, was used to determine the ground state structure. Thus, one can efficiently locate the global minimum in the potential energy surface. Based on the PSO algorithm, Wang et al. [13][14] developed a code called CALYPSO (“Crystal Structure

• Analysis by Particle Swarm Optimization”). It has been used previously by many researchers in discovering new materials [15][16]. In addition to the ground state properties, electronic properties such as ionization energies (IEs) and HOMO–LUMO gaps are also important, as they determine the physical

Exploring the relationships between physiochemical properties of nanoparticles and cell damage to combat cancer growth using simple periodic table-based descriptors

• Joyita Roy and
• Kunal Roy

Beilstein J. Nanotechnol. 2024, 15, 297–309, doi:10.3762/bjnano.15.27

• available from our laboratory website (https://sites.google.com/jadavpuruniversity.in/dtc-lab-software/home). This tool uses a similarity-based approach based on Euclidean distance, Gaussian kernel function, and Laplacian kernel function. The method requires optimization of the hyperparameters (sigma and

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

• plenty of room to explore variations. We have discussed the importance of G as a figure of merit. This parameter provides the calibration of cantilever tip motion, which is an important part in design optimization. A good design must also be fabricated at the wafer scale with a reasonable number of

New application of bimetallic Ag/Pt nanoplates in a colorimetric biosensor for specific detection of E. coli in water

• Azam Bagheri Pebdeni,
• Mohammad N. AL-Baiati and
• Morteza Hosseini

Beilstein J. Nanotechnol. 2024, 15, 95–103, doi:10.3762/bjnano.15.9

• was measured using UV–vis spectroscopy at a wavelength of 600 nm (OD600). The gold standard method of plate counting was used to estimate the number of bacterial cells. Detection of E. coli for bacterial assays Following the optimization of the experimental settings, various concentrations of E. coli

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

• of numerical simulation. The aim of the optimization was to bring the absorption bandwidth in line with the current requirements for the LSPE receiving system. According to these requirements, the width of the absorption line should be 20% of the operating frequency for the 210 GHz channel and 10% of

• the operating frequency for the 240 GHz channel. In the process of optimization, the geometrical dimensions of the matrix dipoles, as well as the absorber resistance and the capacitance of the SIN tunnel junctions, were tuned to meet the requirements better. The best results have been achieved at the

• -tie antennas with a CEB inside a slot. Frequency response of the two-frequency receiving system based on the matrix of bow-tie antennas with CEBs. Solid curves show the optimal response calculated at a substrate thickness of 0.26 mm, obtained by parameters optimization. Dashed curves calculated using

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

• or volatile particles, which can be pumped out. RIE of nickel–iron alloys has been carried out using inductively coupled plasma RIE with argon and chlorine [34] or with NH3 and CO [35]. Stencil lithography requires further optimization although possible applications are attractive because of the

unDrift: A versatile software for fast offline SPM image drift correction

• Tobias Dickbreder,
• Franziska Sabath,
• Lukas Höltkemeier,
• Ralf Bechstein and
• Angelika Kühnle

Beilstein J. Nanotechnol. 2023, 14, 1225–1237, doi:10.3762/bjnano.14.101

• lattice parameters are shown as a lattice drawn with red lines. For the Fourier transform, this fit yields lattice vectors of the inverse lattice, which are then transformed into real-space lattice vectors. For the autocorrelation, the optimization yields the real-space lattice vectors directly. To finish

• step 2, unDrift applies simple geometry to calculate the shortest possible lattice vectors for the lattice extracted in the optimization step. This extraction of lattice vectors is a semi-automatic step, as the user needs to specify parameters for the peak finding. While these parameters need to be

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

• separation. Their values can be obtained from DFT calculations of the total energies of appropriate systems modeling the heterostructure as well as the bulk crystals and slabs with a vacuum layer. The methodology details (from choosing the interface model up to the optimization methods) differ between

• layer of 15 Å was selected for each structure to eliminate interactions between the two surfaces. The conditions for ending the optimization loops for electronic and ionic degrees of freedom were defined by the total energy difference between the steps of 10−8 eV and between the internal forces of 10−2

• interface layers (some of them might be much shorter than in the optimal Au/Ge arrangement). After optimization, we get similar values of rumpling parameters as in variant C, but the distance between Au and Ge layers is increased by almost 0.4 Å. Because of the different numbers of atoms in each supercell

Isolation of cubic Si₃P₄ in the form of nanocrystals

• Polina K. Nikiforova,
• Sergei S. Bubenov,
• Vadim B. Platonov,
• Andrey S. Kumskov,
• Nikolay N. Kononov,
• Tatyana A. Kuznetsova and
• Sergey G. Dorofeev

Beilstein J. Nanotechnol. 2023, 14, 971–979, doi:10.3762/bjnano.14.80

• –1100 nm. The mass concentration of Si3P4 material in the sol (for the sake of attenuation coefficient calculation) was determined by drop casting 3.00 μL of the sol onto a sapphire substrate followed by an XRF study of the resultant film. DFT-GGA computations (structure optimization and calculation of

Low temperature atomic layer deposition of cobalt using dicobalt hexacarbonyl-1-heptyne as precursor

• Mathias Franz,
• Mahnaz Safian Jouzdani,
• Lysann Kaßner,
• Marcus Daniel,
• Frank Stahr and
• Stefan E. Schulz

Beilstein J. Nanotechnol. 2023, 14, 951–963, doi:10.3762/bjnano.14.78

• with a deposition rate of approximately 0.1 Å/cycle. The deposited films were analysed by X-ray photoelectron spectroscopy and are well in the metallic state. We also show the optimization of the overall process through varying the pulse times for precursor, purging, and the plasma pulse. Experimental

Prediction of cytotoxicity of heavy metals adsorbed on nano-TiO₂ with periodic table descriptors using machine learning approaches

• Joyita Roy,
• Souvik Pore and
• Kunal Roy

Beilstein J. Nanotechnol. 2023, 14, 939–950, doi:10.3762/bjnano.14.77

• adjusting its parameters to minimize a specific cost or error function. These algorithms play a crucial role in training machine learning models and are fundamental to many optimization and learning techniques. Fine-tuning the model parameters through iterations helps to improve the model’s performance and

• optimization of the hyperparameters. The AD was also determined, and all compounds were found to be below the threshold of h* = 0.42, as shown in the Williams plot in Figure 3. The AD is the chemical space formed based on the descriptors of the training set compounds. The compounds in the chemical space are

Upscaling the urea method synthesis of CoAl layered double hydroxides

• Camilo Jaramillo-Hernández,
• Víctor Oestreicher,
• Martín Mizrahi and
• Gonzalo Abellán

Beilstein J. Nanotechnol. 2023, 14, 927–938, doi:10.3762/bjnano.14.76

• , requiring their specific optimization. Overall, this work demonstrates, by means of several structural, microscopic, and spectroscopic techniques (including XANES-EXAFS synchrotron experiments), that the reproducible large-scale synthesis of high-quality morphologically controlled CoAl-LDHs is feasible

Antibody-conjugated nanoparticles for target-specific drug delivery of chemotherapeutics

• Mamta Kumari,
• Amitabha Acharya and
• Praveen Thaggikuppe Krishnamurthy

Beilstein J. Nanotechnol. 2023, 14, 912–926, doi:10.3762/bjnano.14.75

• -effectiveness. The optimization of these variables depends on NP design parameters such as size, shape, charge, composition, preparation method, and surface decorating moiety. The most crucial aspect in the future development of ACNPs will be the design and fabrication of multiple targeting moieties 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

• -dodecane are colored in green and pink, respectively. Geometry optimization was performed using the Gaussian 16 program [50] at the B3LYP/6-31G* level [51] with Grimme’s D3 dispersion correction [52]. The optimized geometry of isolated C96H24 was fixed during the calculation, and the geometry of the

Silver-based SERS substrates fabricated using a 3D printed microfluidic device

• Phommachith Sonexai,
• Minh Van Nguyen,
• Bui The Huy and
• Yong-Ill Lee

Beilstein J. Nanotechnol. 2023, 14, 793–803, doi:10.3762/bjnano.14.65

• . Optimization of the PS@Ag SERS substrate fabrication To optimize the etching time of PS on the wafers, a RhB solution (10−5 M) was chosen for estimating the SERS signal. The wafer pieces were etched for 0, 5, 10, 20, 40, and 80 min. The corresponding substrates were denoted PS0min@Ag, PS5min@Ag, PS10min@Ag

• ; optimization of droplet generation; synthesis of silver nanoparticles in the droplet-based microfluidic device; FESEM images and EDX spectra of the SERS substrate; SEM images of the SERS substrate with RhB; and calculation of the enhancement factors for RhB and MLM. Supporting Information File 34: Additional

Control of morphology and crystallinity of CNTs in flame synthesis with one-dimensional reaction zone

• Muhammad Hilmi Ibrahim,
• Norikhwan Hamzah,
• Mohd Zamri Mohd Yusop,
• Ni Luh Wulan Septiani and
• Mohd Fairus Mohd Yasin

Beilstein J. Nanotechnol. 2023, 14, 741–750, doi:10.3762/bjnano.14.61

• from carbonaceous by-products. However, the ID/IG ratio seems to settle at around 1.00 at a much higher HAB value. Hence, crystallinity and graphitization of the products are inversely proportional to the diameter, as discussed previously, leaving a trade-off that requires optimization. Overall, the 17

Investigations on the optical forces from three mainstream optical resonances in all-dielectric nanostructure arrays

• Guangdong Wang and
• Zhanghua Han

Beilstein J. Nanotechnol. 2023, 14, 674–682, doi:10.3762/bjnano.14.53

• electromagnetic field enhancement. We should note that all these values in Table 1 are rough numbers with no optimization (e.g., the Q-factor of the quasi-BIC resonance can be controlled by the level of symmetry breaking (the size and position of the elliptical slot)). However, the results in Table 1 with

Transferability of interatomic potentials for silicene

• Marcin Maździarz

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

• generate k-points grids, kptrlen was set to 43.0. Since the 2D structures were analyzed in the z direction, a vacuum of 20 Å was applied. The initial data for the five structures analyzed were deduced from [7] and [8]. The structures were then carefully relaxed with full optimization of cell geometry and

• potentials of Tersoff, SW, and MEAM types seem to be the best choice here. Although data for silicene polytypes were not used in the optimization of these potentials, they were able to reproduce their properties well. This is a consequence of the fact that they are based on physics, have a natural

Carbon nanotube-cellulose ink for rapid solvent identification

• Tiago Amarante,
• Thiago H. R. Cunha,
• Claudio Laudares,
• Ana P. M. Barboza,
• Ana Carolina dos Santos,
• Cíntia L. Pereira,
• Vinicius Ornelas,
• Bernardo R. A. Neves,
• André S. Ferlauto and
• Rodrigo G. Lacerda

Beilstein J. Nanotechnol. 2023, 14, 535–543, doi:10.3762/bjnano.14.44

• ) and the calculated mean resistance (with standard deviation) is 1.26 ± 0.07 kΩ. A geometry optimization was also performed to find out the maximum gain response as a function of width, length, and number of painted layers (see Supporting Information File 1 for details). To better understand how MWCNTs

Nanoarchitectonics to entrap living cells in silica-based systems: encapsulations with yolk–shell and sepiolite nanomaterials

• Celia Martín-Morales,
• Jorge Fernández-Méndez,
• Pilar Aranda and
• Eduardo Ruiz-Hitzky

Beilstein J. Nanotechnol. 2023, 14, 522–534, doi:10.3762/bjnano.14.43

• bioactivity. Thus, the encapsulation efficiency is improved compared to the approach using a direct contact of cells in a silica matrix. Encapsulated yeast produced ethanol over a period of several days, pointing out the useful biocatalytic potential of the approach and suggesting further optimization of the

• –alginate biohybrid systems (Supporting Information File 1, Figure S1). The optimization study also showed that the use of a sodium silicate concentration of 7.5% may cause an increase in the diffusional limitation, reducing the exchange of compounds necessary for the biological activity of the encapsulated

• . Nonetheless, further research in biocatalytic applications of these silica-based nanoarchitectures and optimization of the synthesis procedures is still required. Experimental Materials and methods Sepiolite from Vicálvaro-Vallecas deposits (Madrid, Spain) was provided by TOLSA, S.A. as Pangel S9 rheological

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

• resulting from changes to shape, size, material, and dielectric can be effectively obtained from simulations. Such endeavours minimize the effort required for material optimization. Also, they allow for considerable flexibility in exploring unconventional morphologies and material combinations. With

Nanotechnology – a robust tool for fighting the challenges of drug resistance in non-small cell lung cancer

• Filip Gorachinov,
• Fatima Mraiche,
• Diala Alhaj Moustafa,
• Ola Hishari,
• Yomna Ismail,
• Jensa Joseph,
• Maja Simonoska Crcarevska,
• Marija Glavas Dodov,
• Nikola Geskovski and
• Katerina Goracinova

Beilstein J. Nanotechnol. 2023, 14, 240–261, doi:10.3762/bjnano.14.23

• with hyaluronic acid–doxorubicin NPs layered by electrostatic adsorption upon the micelle surface. Hyaluronic acid was used for CD44 targeting (a receptor that is often overexpressed on the surface of lung tumor cells), as well as for the optimization of biodistribution, improved tumor homing potential

• gene therapy. Additional findings in the field emerged with the combinatorial synthesis of SORT lipid libraries, which improved screening, selection, and optimization of ionizable SORT lipids for exclusive organ/tissue localization. Considerable effort has also been made to understand the influence of

• preferentially target the spleen, the amide-containing lipidoids contribute to increased lung targeting, and lipidoids with ester bonds in the tail tend to deliver mRNA into the liver [156]. Rational design of LNPs by in vitro and in vivo optimization of morphology and ratio of the lipid components and their

A distributed active patch antenna model of a Josephson oscillator

• Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2023, 14, 151–164, doi:10.3762/bjnano.14.16

• Vladimir M. Krasnov Department of Physics, Stockholm University, AlbaNova University Center, SE-10691 Stockholm, Sweden 10.3762/bjnano.14.16 Abstract Optimization of Josephson oscillators requires a quantitative understanding of their microwave properties. A Josephson junction has a geometry