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

• predictive analysis [71]. Moreover, it is tailored to the safe-by-design paradigm, making it an essential tool for future researches [72]. ASCOT (an acronym derived from Ag-Silver, Copper Oxide, Titanium Oxide) is a tool for the automated construction and optimization of molecular structures for, as the name

Lithium niobate on insulator: an emerging nanophotonic crystal for optimized light control

• Midhun Murali,
• Amit Banerjee and
• Tanmoy Basu

Beilstein J. Nanotechnol. 2024, 15, 1415–1426, doi:10.3762/bjnano.15.114

• . Jamshidi-Ghaleh et al. investigated the behavior of the LN defect layer in MgF2/Ag/TiO2-based one-dimensional ternary photonic crystal (1DTPC). A voltage-dependent defect mode, arising from the electro-optic characteristics of LN, emerges inside the bandgap of the ternary photonic crystal. The localized

• absorption, it simultaneously elevates the possibility of carrier recombination. Bae et al. incorporated Ag-coated five SiO2/TiO2 bilayered DBRs in combination with Fabry–Pérot (FP) resonators to address this trade-off and enhance the performance of PbS CQD solar cells. Hence, the light absorption near the

Nanoarchitectonics with cetrimonium bromide on metal nanoparticles for linker-free detection of toxic metal ions and catalytic degradation of 4-nitrophenol

• Akash Kumar and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2024, 15, 1312–1332, doi:10.3762/bjnano.15.106

• nanoparticles (AuNS, AuNR1, and AuNR2). The characteristic [C–H–Ag] vibration was missing, indicating the absence of C–H binding to the metal surface. The new minor peaks of CTAB-capped AgNS and AuNS at 828, 1004, and 1130 cm−1, which are not present in parent CTAB molecules, are also considered as stretching

• silver, facilitated by their high redox potential, enabling Cu–Ag interaction in low-bound CTAB nanoparticles [59]. In contrast, gold nanospheres did not exhibit any metal interactions in the presence of NaOH, which is attributed to the tightly bound CTAB on AuNS surfaces. However, CTAB-AuNS was reported

Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

• Anup Shrivastava,
• Shivani Saini,
• Dolly Kumari,
• Sanjai Singh and
• Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

• selecting an appropriate material for absorbers/ETL, we have designed and modeled the solar cell in a FTO–TiO2–CsSn0.5Ge0.5I3–Ge2Se2–Ag configuration, which outperforms, in terms of their key parameters, other reported works in the literature. The proposed solar cell configuration is environmentally

• offset and ease of synthesis. The front and back contacts are supposed to be ohmic and are made of silver (Ag) to maintain proper band alignment and reduce the band offset. It has been reported that tuning the CBM and VBM positions to keep a low band offset leads to superior device performance. Figure 6b

• using Ge2Se2 as HTL; (a) device setup consisting of stacked layers of FTO–TiO2–CsSn0.5Ge0.5I3–Ge2Se2–Ag; (b) band offset among different PSC layers, demonstrating the ease of charge-transfer from the active layers to the respective transport layers. PSC performance parameters as functions of (a) HTL

Photocatalytic methane oxidation over a TiO₂/SiNWs p–n junction catalyst at room temperature

• Qui Thanh Hoai Ta,
• Luan Minh Nguyen,
• Ngoc Hoi Nguyen,
• Phan Khanh Thinh Nguyen and
• Dai Hai Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1132–1141, doi:10.3762/bjnano.15.92

• pattern of a pure Si wafer and p-type SiNWs display a main peak at 2θ of 33.2°, which was attributed to the reflection from (200) planes. Despite being etched with concentrated acid and Ag+ ions, there was no significant change in the peak position of p-type SiNWs, which corresponds to the original Si

• (0.1 M), HF (50 wt %) and H2O (2:1:2 vol %) was prepared and kept at 56 °C for 20 min. The clean Si substrate was rapidly immersed in the etching medium and etched by the Ag+ ions for 25 min to obtain 4 µm long SiNWs. Afterwards, remaining Ag on the Si surface was removed using HNO3 (63 wt %) for 10

Local work function on graphene nanoribbons

• Daniel Rothhardt,
• Amina Kimouche,
• Tillmann Klamroth and
• Regina Hoffmann-Vogel

Beilstein J. Nanotechnol. 2024, 15, 1125–1131, doi:10.3762/bjnano.15.91

• bandgap [12], which is also related to the work function. GNRs can be synthesized with atomic precision in an ultrahigh-vacuum environment using on-surface synthesis [13]. This synthesis is well known on coinage metals, namely, Cu, Ag, and Au, which possess a high electron density. To study these unique

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

• (Strem Chemicals, CAS 148630-66-4), with a stoichiometry of Ag/P/F/O/C = 1:1:6:2:8 was evaporated using a fully integrated custom-built gas injection system (GIS) consisting of chemically inert steel [28]. No injection needles were used. The components of the GIS that were in direct contact with the

• the large carbon portion of about 70 atom %, remarkably high contents of oxygen (22 atom %) and phosphorous (7 atom %) are found. This is in line with the favored co-deposition of ligand elements at high local electron flux. Furthermore, compared to the initial precursor stoichiometry of Ag/P = 1:1

• months later, showing grown silver crystals in the direction of the precursor gas flow and in the further surrounding. (c) BSE image from the cross section where heavy elements appear bright. The Ag/C ratios were obtained from EDX measurements at the cross section in the areas indicated by white

Unveiling the potential of alginate-based nanomaterials in sensing technology and smart delivery applications

• Shakhzodjon Uzokboev,
• Khojimukhammad Akhmadbekov,
• Ra’no Nuritdinova,
• Salah M. Tawfik and
• Yong-Ill Lee

Beilstein J. Nanotechnol. 2024, 15, 1077–1104, doi:10.3762/bjnano.15.88

• -aminophenyl boronic acid)/sodium alginate nanogel (Ag@PABA-SA) was synthesized using a green, in situ chemical oxidative polymerization approach for detecting hydrogen peroxide in lake water [115]. When this experiment was carried out without alginate, it showed unsuccessful results. Importantly, with

• alginate present, PABA covalently attached to the hydroxy groups of alginates to form a PABA-SA semi-interpenetrating network on which AgNPs were concurrently deposited (Figure 5). As a result, very stable polymer-based AgNPs were formed. The Ag@PABA-SA nanogel was tested as a colorimetric probe for

• properties. Oxidative and sensitive materials are loaded into sodium alginate gel, and the absence and concentration of hydrogen peroxide in water and milk can be analyzed by a colorimetric method [117]. In another work, an alginate hybrid silver magnetite nanocomposite (Fe3O4@AMALG12@Ag) with enhanced

Signal generation in dynamic interferometric displacement detection

• Knarik Khachatryan,
• Simon Anter,
• Michael Reichling and
• Alexander von Schmidsfeld

Beilstein J. Nanotechnol. 2024, 15, 1070–1076, doi:10.3762/bjnano.15.87

• = 0.81) aluminum-coated silicon microcantilever (type PPP-NCLR, NanoWorld AG, Neuchâtel, Switzerland) having dimensions of (225 ± 10) μm × (38 ± 8) μm × (7 ± 1) μm according to the specification of the manufacture. Using our standard procedure [15], we determined the eigenfrequency as f0 = 169.67622 kHz

Effect of wavelength and liquid on formation of Ag, Au, Ag/Au nanoparticles via picosecond laser ablation and SERS-based detection of DMMP

• Sree Satya Bharati Moram,
• Chandu Byram and
• Venugopal Rao Soma

Beilstein J. Nanotechnol. 2024, 15, 1054–1069, doi:10.3762/bjnano.15.86

• Abstract The present study investigates the effects of input wavelength (1064, 532, and 355 nm) and surrounding liquid environment (distilled water and aqueous NaCl solution) on the picosecond laser ablation on silver (Ag), gold (Au), and Ag/Au alloy targets. The efficacy of the laser ablation technique

• ) laser melting in liquid (LML), and (iii) laser defect engineering in liquid (LDL) [16]. In our previous work, we fabricated Ag–Cu alloy NPs using the femtosecond (fs) laser irradiation approach [17]. Similarly, Ag/Au alloy NPs were fabricated by laser ablation of single metal targets in water followed

• , such as high cost, chemical instability, and sustainability issues [22][23]. Menéndez-Manjón et al. [24] reported the synthesis of Ag/Au alloy NPs via picosecond LASiS of solid targets in monomer MMA. Amendola et al. [25] demonstrated the fabrication of magneto-plasmonic alloy NPs, such as Fe–Au, by

Entry of nanoparticles into cells and tissues: status and challenges

• Kirsten Sandvig,
• Tore Geir Iversen and
• Tore Skotland

Beilstein J. Nanotechnol. 2024, 15, 1017–1029, doi:10.3762/bjnano.15.83

• , exposure to various types of NPs (Au, Ag, SiO2, and Fe3O4) was found to change the content of EV-containing miRNAs [72]. It is important to understand the mechanisms involved to analyze exosome markers with and without incubation with NPs. Nanoparticles under development for drug delivery are made from

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

• shape was looked into by Holec et al. [48], while Martin et al. considered silver NPs [49]. A comparative study of surface disorder in Au and Ag NPs upon cooling was carried out by Agudelo-Giraldo et al. [50]. Chushak and Bartell considered the structural modifications upon freezing of several molten Au

• high heating and cooling rates compared to the experimental ones, it has been shown to yield representative structures that are in good agreement with the ones observed via X-ray diffraction for a number of nanomaterials such as CuO NPs [62], TiO2 NPs [63], as well as carbon [64] and Ag [65

• potential energy per atom at hand, we can utilize our in-house QSAR model [75] to assess qualitatively the effect of temperature and NP size on toxicity. Although the model has been trained on data for Ag, TiO2, and CuO NPs, its applicability to Au and Pt NPs is justified since Ag, Au, and Pt are pure

Recent progress on field-effect transistor-based biosensors: device perspective

• Billel Smaani,
• Fares Nafa,
• Mohamed Salah Benlatrech,
• Ismahan Mahdi,
• Hamza Akroum,
• Mohamed walid Azizi,
• Khaled Harrar and
• Sayan Kanungo

Beilstein J. Nanotechnol. 2024, 15, 977–994, doi:10.3762/bjnano.15.80

• measurements of interfacial potential by means of the extended-gate structure combined with ferrocenyl–alkanethiol-modified gold electrodes [110]. This structure uses reusable back-end detection parts and disposable front-end biosensing chip parts. A quasi-reference electrode is made using Ag/AgCl. The front

The effect of age on the attachment ability of stick insects (Phasmatodea)

• Marie Grote,
• Stanislav N. Gorb and
• Thies H. Büscher

Beilstein J. Nanotechnol. 2024, 15, 867–883, doi:10.3762/bjnano.15.72

• Zeiss Axioplan microscope and an AxioCam MRc camera with the AxioVision software (v. 4.8.2) (Carl Zeiss AG, Oberkochen, Germany). The tarsi were examined at 5× magnification. Sets of excitation and emission filters were used according to [50]. 7 Confocal laser scanning microscopy (CLSM) A confocal laser

• autofluorescence of the cuticle [50]. The samples were prepared the same way as for WFM imaging (see section 6). One tarsus per respective age group was examined (subadult, freshly molted adult, young, and old). The ZEN2008 software (Carl Zeiss AG, Oberkochen, Germany) was used to generate maximum intensity

• SCD500 (Leica Camera AG, Wetzlar, Germany) coater. A Hitachi TM3000 (Hitachi Ltd. Corporation, Tokyo, Japan) scanning electron microscope was used to document the tarsal morphology at 15 kV acceleration voltage. 9 Data analysis Data analysis was performed in the R environment [51] using R Studio [52

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

• the relevance of their distribution along the molecule. However, the core of the NMs is typically composed by chemicals with a simpler and repetitive chemical structure. Most inorganic materials are composed of single elements (e.g., Au or Ag) or binary compounds (e.g., Fe2O3, CdSe, or SiO2). The most

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

• melting temperature and, partly, because the appearance of moisture delays the diffusion of silver atoms. The synthesis of AgPd nanocrystals with sizes ranging from 2.46 to 6.65 nm has been reported for applications in the manufacturing of electronic components [6]. Chu et al. [7] synthesized Pd–Ag

• nanoparticles, by the wet reduction method using palladium and silver hydroxide colloids as precursors, to study hydrogen absorption; the size of these BNPs was 6–7 nm. However, inhomogeneous nanoparticles were obtained because Ag fractions were found on the surface, which were increased by heating the samples

Electrospun polysuccinimide scaffolds containing different salts as potential wound dressing material

• Veronika Pálos,
• Krisztina S. Nagy,
• Rita Pázmány,
• Krisztina Juriga-Tóth,
• Bálint Budavári,
• Judit Domokos,
• Dóra Szabó,
• Ákos Zsembery and
• Angela Jedlovszky-Hajdu

Beilstein J. Nanotechnol. 2024, 15, 781–796, doi:10.3762/bjnano.15.65

• syringe filters (Sarstedt AG & Co. KG, Germany). Both cell types were seeded onto a 96-well plate at a concentration of 5000 cells/cm2. The names of the samples and the treatment of the cells are shown in Table 2. Eight parallel measurements were made for each sample. After one day of incubation, the

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

• composition can be identified. Each form of copper oxide presents a different Raman spectrum. CuO crystallizes in a monoclinic lattice with the space group giving the following set of the zone-center lattice modes: Γ = Ag + 2Bg + 4Au + 5Bu. Hence, CuO has twelve phonon branches in the phonon dispersion

• spectrum as there are four atoms in the primitive cell. Out of these modes, only the Ag and two Bg modes are Raman-active. The next three modes (Au + 2Bu) are acoustic, whereas six modes (3Au + 3Bu) are IR-active [56][57]. Figure 5 shows the Raman spectra measured for as-grown, 2× and 3× CuO/Si samples. A

• ]. The remaining Raman lines, which were fitted with Lorentz functions, reveal mode frequencies in the ranges of 296–300, 345–346, and 624–633 cm−1. These values correspond to the following vibrations in the CuO layer: CuO Ag ≈ 300 cm−1, CuO ≈ 345 cm−1, and CuO ≈ 630 cm−1. Their values are similar to

Simultaneous electrochemical determination of uric acid and hypoxanthine at a TiO₂/graphene quantum dot-modified electrode

• Vu Ngoc Hoang,
• Dang Thi Ngoc Hoa,
• Nguyen Quang Man,
• Le Vu Truong Son,
• Le Van Thanh Son,
• Vo Thang Nguyen,
• Le Thi Hong Phong,
• Ly Hoang Diem,
• Kieu Chan Ly,
• Ho Sy Thang and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2024, 15, 719–732, doi:10.3762/bjnano.15.60

• electrode (GCE, 3 mm diameter), a platinum wire auxiliary electrode, and a Ag/AgCl reference electrode was used. Electrolyte solutions were prepared using doubly distilled water. Britton–Robinson (BR) buffer solutions with pH between 2 and 6 were prepared by mixing boric acid solution, phosphoric acid

• ) were optimized. Eacc does not significantly affect the oxidation signals (EP and IP) of URI and HYP (Supporting Information File 1, Figure S1a,b) when it is varied from −0.2 V to +0.4 V (vs Ag/AgCl|KCl 3 M). Specifically, EP and IP for the oxidation of URI remain constant at 0.510 ± 0.000 V and 13.43

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

• % [68][69], while platinum surfaces are partially oxidized with 20–73% [70][92], and nickel particles are completely oxidized [70]. This was further investigated by Kalus et al., who ablated seven different metals (Au, Pt, Ag, Cu, Fe, Ti, and Al) in water while quantifying the formed hydrogen and oxygen

• enhanced by the Au nanoparticles resulting from LRL, producing the previously mentioned C1–C5 products. In addition to this, the authors found a difference regarding the nucleation of Ag nanoparticles depending on the used solvent. For the formation of Ag nanoparticles during LRL in isopropyl alcohol, they

• proposed a mechanism of electron transfer from the solvent, which produced acetone as a by-product. Since this transfer is not possible in water and only plasma reactions are available, Ag could not nucleate during LRL in water because of the oxidizing activity of hydroxyl radicals [121]. Overall, LSPC in

Directed growth of quinacridone chains on the vicinal Ag(35 1 1) surface

• Niklas Humberg,
• Lukas Grönwoldt and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2024, 15, 556–568, doi:10.3762/bjnano.15.48

• the vicinal Ag(35 1 1) surface was investigated by scanning tunneling microscopy and low-energy electron diffraction. The focus was on the influence of the steps on the QA structures and their preferential azimuthal orientations with the aim of achieving a selective orientation. After deposition at a

• sample temperature of 300 K, QA forms the same kind of molecular chains as on the nominally flat Ag(100) surface because of strong intermolecular hydrogen bonds, which we reported in a previous publication [Humberg, N.; Bretel, R.; Eslam, A.; Le Moal, E.; Sokolowski, M. J. Phys. Chem. C 2020, 124, 24861

• –24873]. The vicinal surface leads to one additional chain orientation, which is parallel to the Ag step edges. However, most chains nucleate on the Ag terraces between steps with four distinct azimuthal orientations that are identical to those on Ag(100), and which are determined by the interactions

Cholesterol nanoarchaeosomes for alendronate targeted delivery as an anti-endothelial dysfunction agent

• Horacio Emanuel Jerez,
• Yamila Roxana Simioni,
• Kajal Ghosal,
• Maria Jose Morilla and
• Eder Lilia Romero

Beilstein J. Nanotechnol. 2024, 15, 517–534, doi:10.3762/bjnano.15.46

• from Gibco® by Life Technologies (NY, USA). Fetal bovine serum (FBS) was purchased from Internegocios S. A. (BA, Argentina). The other reagents were of analytic grade and purchased from Anedra, Research AG (BA, Argentina). Archaea growth and lipid extraction The hyperhalophilic archaea Halorubrum

Electron-induced deposition using Fe(CO)₄MA and Fe(CO)₅ – effect of MA ligand and process conditions

• Hannah Boeckers,
• Atul Chaudhary,
• Petra Martinović,
• Amy V. Walker,
• Lisa McElwee-White and
• Petra Swiderek

Beilstein J. Nanotechnol. 2024, 15, 500–516, doi:10.3762/bjnano.15.45

• ]. Autocatalytic growth (AG) of high-purity deposits leads to formation of individual crystallites as a consequence of precursor surface mobility at room temperature [21][24][25]. This mobility is suppressed when the surface is held at sufficiently low temperature. This was demonstrated by UHV experiments that

• performing electron irradiation of the condensed layer. (iii) In addition, AG was studied by dosing the precursor on a previous deposit produced by EBID from Fe(CO)5 and held at room temperature. Overall, the performance of Fe(CO)4MA in the different processes and in comparison to Fe(CO)5 is discussed

• combination with contributions of AG likely leads to aggregation and, thus, to a non-homogeneous thickness. In the extreme case that each aggregate has a thickness that exceeds the escape depth of the TaNNN Auger electrons (referred to herein as scenario B), the attenuation of the TaNNN signal would rather

Fabrication of nanocrystal forms of ᴅ-cycloserine and their application for transdermal and enteric drug delivery systems

• Hsuan-Ang Tsai,
• Tsai-Miao Shih,
• Theodore Tsai,
• Jhe-Wei Hu,
• Yi-An Lai,
• Jui-Fu Hsiao and
• Guochuan Emil Tsai

Beilstein J. Nanotechnol. 2024, 15, 465–474, doi:10.3762/bjnano.15.42

• absorber [20]. In addition, silver (Ag) nanoparticles were synthesized from cotton fabrics and exhibited strong inhibition activity against some bacteria [21]. Recently, pure active pharmaceutical ingredient (API) composed of nanocrystals was investigated, as opposed to drug nanocarrier platforms [22

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

• , and characterization of such materials [9][10]. Silver NWs are among the most extensively studied materials for NW-based transparent electrodes. High-quality Ag NWs can be synthesized relatively easily in large quantities, with precise control over their length and diameter [11][12]. Compared to

• indium tin oxide (ITO), which currently serves as the industry standard for transparent conductive films, the Ag NW network is significantly more mechanically flexible and offers a broader optical transmittance range that extends well beyond the visible region [13][14]. Another related application of Ag

• NW networks is in highly flexible transparent film heaters [15]. In recent years, Ag NWs have garnered attention as a key element in neuromorphic computing devices [16]. In the context of the applications mentioned, Ag NWs are subjected to elevated temperatures caused by Joule heating [17]. Moreover