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

• materials research by extracting valuable patterns and correlations from vast amounts of experimental and computational data [6][7][8][9]. These approaches enable researchers to uncover hidden relationships between composition, structure, morphology, processing, and properties, accelerating the discovery of

• of a broad range of advanced digital technologies (Figure 1). One significant area where these technologies can have a profound impact is in the design and development of advanced nanomaterials [15][16], where the relationship between structure and morphology at different scales, processing, and

Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• essential to consider nucleation and the nucleation barrier. To describe nucleation, it is necessary to consider the geometrical morphology of the transforming system and the possible transformation modes (Figure 3). In experiments, nucleation through a cap-type two-phase configuration has been observed

• avoid the complexity of formula expressions accounting for nucleation morphology, we refrain from presenting the mathematical apparatus and detailed geometry descriptions. Similar analyses can be found in our previous work [45]. The energy of point defects, ΔGpd(β+α), can be expressed as follows: Let us

• energy criterion In order to describe nucleation, it is essential to consider the geometrical morphology of the transforming system and the potential transformation modes (Figure 7). Let us now visualize the dependence of ΔGncl ≡ ΔG(Nα) on Nα. The results of the computations are depicted in Figure 8 for

Various CVD-grown ZnO nanostructures for nanodevices and interdisciplinary applications

• The-Long Phan,
• Le Viet Cuong,
• Vu Dinh Lam and
• Ngoc Toan Dang

Beilstein J. Nanotechnol. 2024, 15, 1390–1399, doi:10.3762/bjnano.15.112

• . Depending on the morphology and crystal quality, their photoluminescence spectra have only a strong UV emission associated with the exciton radiative recombination, or both UV and defect-related visible emissions with their relative intensity ratio varying with the excitation power density. The obtained

• . They converge at the origin with a size of ≈100 nm. For the second morphology, named T2 in Figure 3b, the tetrapods have long arms of 8–10 μm, where arms are nanorods with diameters of 200–500 nm. Another tetrapod type shown in Figure 3c, named T3, has a morphology similar to that of T2 but with

A biomimetic approach towards a universal slippery liquid infused surface coating

• Ryan A. Faase,
• Madeleine H. Hummel,
• AnneMarie V. Hasbrook,
• Andrew P. Carpenter and
• Joe E. Baio

Beilstein J. Nanotechnol. 2024, 15, 1376–1389, doi:10.3762/bjnano.15.111

• spectroscopy. Finally, ordering of specific chemical groups within our PDA SLIPS layer was determined via sum frequency generation spectroscopy. The hemocompatibility of our new PDA-based SLIPS coating was then evaluated by tracking FXII activation, fibrin generation time, clot morphology, and platelet

• baseline absorbance value. 5% is a sufficient threshold to overcome the noise floor of the data [33]. Clot morphology Wells of interest of a non-treated 96-well polystyrene were blocked with 300 μL 1% BSA in Milli-Q water for 2 h at 37 °C. After 2 h, wells were rinsed three times with Milli-Q water. Plates

• pathway dominates [47]. Thus, in this investigation we took one of our newly created PDA SLIPS samples (PDA–FDT–PFD on COC) and characterized it in terms of FXII activation, fibrin generation time, clot morphology, and platelet adhesion and activation. Previously, Badv et al. hypothesized that the

Green synthesis of carbon dot structures from Rheum Ribes and Schottky diode fabrication

• Muhammed Taha Durmus and
• Ebru Bozkurt

Beilstein J. Nanotechnol. 2024, 15, 1369–1375, doi:10.3762/bjnano.15.110

• synthesis, which is commonly used in the literature. TEM and zeta potential measurements were used to determine morphology and sizes of the CDs, and XRD, XPS, and FTIR and micro-Raman spectroscopy were used for structural characterization. Optical characterization of the CDs was done by absorption and

• study, Rheum ribes, which grows wild in the Eastern Anatolia region of Turkey, was used as a carbon source for the first time, and fluorescent carbon dot structures (CDs) were successfully synthesized in a single step by the hydrothermal synthesis method. Morphology, size, and surface charge of these

Hymenoptera and biomimetic surfaces: insights and innovations

• Vinicius Marques Lopez,
• Carlo Polidori and
• Rhainer Guillermo Ferreira

Beilstein J. Nanotechnol. 2024, 15, 1333–1352, doi:10.3762/bjnano.15.107

• morphology (triangular cross section with two corrugated surfaces) associated with a strong optical reflection in the visible and near-infrared (NIR) range, while maximizing heat emissivity in the mid-infrared (MIR). This allows the insects to maintain a lower thermal steady state and to cope with high

• , bioabsorbable surgical clamps modeled after the morphology and topography of the A. laevigata mandible, characterized by smooth internal regions and rougher external surfaces, could significantly improve grip and functionality [65]. Furthermore, the unique kinematic features of ant mandibles, such as the mobile

• joint axis and the tilt in the mandibular axis, provide insights for designing more efficient gripping devices [66]. Recently, a commercially available endoscopic needle holder was developed based on the morphology of Formica rufa, resulting in a remarkable increase in force amplification by up to 296

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

• high strength to nanoparticles, the use of such nanoparticles is limited in sensing, catalysis, and biomedical applications because of post-synthesis functionalization, morphology, and toxicity [6][7][8]. CTAB is a resilient molecule on the nanoparticle surface because of its micellar structure and

• anisotropic metal nanoparticles using zeta cuvettes (DTS0012). The precise size and morphology of CTAB-AgNS, CTAB-AuNS, CTAB-AuNR1, and CTAB-AuNR2 were observed under a transmission electron microscope (TEM, 120 kV; FEI Tecnai). The nanoparticles were placed onto 200-mesh carbon-coated copper grids. The

• is attributed to the CH2 scissoring mode and indicates close-packing of the methylene chains [42]. However, for CTAB-AgNS, CTAB-AuNS, CTAB-AuNR1, and CTAB-AuNR2, the peak splits into two parts with different intensities because of crystallinity loss in the hydrocarbon regions or the morphology of the

Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in C. elegans

• Romana Petry,
• James M. de Almeida,
• Francine Côa,
• Felipe Crasto de Lima,
• Diego Stéfani T. Martinez and
• Adalberto Fazzio

Beilstein J. Nanotechnol. 2024, 15, 1297–1311, doi:10.3762/bjnano.15.105

• complete characterization of the GO sample is available in [36]. Atomic force microscopy (AFM), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS) were used to assess size, morphology, number of layers, and surface chemistry of GO. The GO sample used in this study consists of single layers with

• Agency (EPA), herein named EPA medium, in absence and presence of TA. Atomic force microscopy AFM has been extensively used to characterize the distribution and morphology of biomolecules on the surface of nanomaterials, especially 2D materials [37]. Figure 1a and Figure 1b show AFM images of GO sheets

• spectroscopy (XploRA PLUS, Horiba), FTIR spectroscopy (IRSpirit Shimadzu), and XPS (K-Alpha XPS Thermo Fisher Scientific) were used to assess changes in the morphology and surface chemistry of GO while interacting with TA. For AFM analysis, 10 mg·L−1 GO was incubated in EPA medium for 24 h with and without 10

Mn-doped ZnO nanopowders prepared by sol–gel and microwave-assisted sol–gel methods and their photocatalytic properties

• Cristina Maria Vlăduț,
• Crina Anastasescu,
• Silviu Preda,
• Oana Catalina Mocioiu,
• Simona Petrescu,
• Jeanina Pandele-Cusu,
• Dana Culita,
• Veronica Bratan,
• Ioan Balint and
• Maria Zaharescu

Beilstein J. Nanotechnol. 2024, 15, 1283–1296, doi:10.3762/bjnano.15.104

• samples were thermally treated at 350 °C and 500 °C for 1 h each. Scanning electron microscopy The morphology and chemical composition (inset) of the thermally treated samples is illustrated in Figure 4. Homogeneously distributed, quasi-spherical nanoparticles (mean size diameter of 70 nm) are observed in

• role of the ROS in photomineralization of oxalic acid over the two investigated catalysts can be assumed. The authors’ previous photocatalytic studies concerning the photodegradation of oxalic acid emphasized the dependence of photocatalytic activity on catalyst morphology [55]. The importance of the

Functional morphology of cleaning devices in the damselfly Ischnura elegans (Odonata, Coenagrionidae)

• Silvana Piersanti,
• Gianandrea Salerno,
• Wencke Krings,
• Stanislav Gorb and
• Manuela Rebora

Beilstein J. Nanotechnol. 2024, 15, 1260–1272, doi:10.3762/bjnano.15.102

• , 06121 Perugia, Italy Department of Cariology, Endodontology and Periodontology, Universität Leipzig, Liebigstraße 12, 04103 Leipzig, Germany Department of Functional Morphology and Biomechanics, Zoological Institute, Kiel University, Am Botanischen Garten 1–9, 24098 Kiel, Germany 10.3762/bjnano.15.102

• portion and from the seta to the cuticular lamina. The removal of the grooming devices induces a strong increase in the contaminated areas on the eyes after grooming. Further studies on insect grooming can provide valuable data on the functional morphology of insect micro- and nanostructures and can

• , predominantly using the forelegs, involves grooming the antennae, head, mesosoma, forelegs, and middle legs. The posterior cluster focuses on cleaning the wings, metasoma, middle legs, and hind legs, and primarily uses the hind legs. A similar behavior is reported in ants, where functional morphology and

The role of a tantalum interlayer in enhancing the properties of Fe₃O₄ thin films

• Hai Dang Ngo,
• Vo Doan Thanh Truong,
• Van Qui Le,
• Hoai Phuong Pham and
• Thi Kim Hang Pham

Beilstein J. Nanotechnol. 2024, 15, 1253–1259, doi:10.3762/bjnano.15.101

• morphological, structural, and magnetic properties of the deposited samples were characterized with atomic force microscopy, X-ray diffractometry, and vibrating sample magnetometry. The polycrystalline Fe3O4 film grown on MgO/Ta/SiO2/Si(100) presented very interesting morphology and structure characteristics

• indicates the potential to facilitate the development of novel magnetic and spintronic architectures. Results and Discussion AFM and line-cut method were used to examine the surface morphology and grain sizes of the Fe3O4 films that were formed on SiO2/Si(100), MgO(100), and MgO/Ta/SiO2/Si(100) multilayer

• for MgO with Ta buffer layer. The microstructural properties are summarized in Table 2. To characterize the effect of microstructure and morphology on the magnetic properties of Fe3O4 thin films, VSM measurements were conducted in an external field from −10 kOe to 10 kOe at room temperature. Figure 3

Enhanced catalytic reduction through in situ synthesized gold nanoparticles embedded in glucosamine/alginate nanocomposites

• Chi-Hien Dang,
• Le-Kim-Thuy Nguyen,
• Minh-Trong Tran,
• Van-Dung Le,
• Nguyen Minh Ty,
• T. Ngoc Han Pham,
• Hieu Vu-Quang,
• Tran Thi Kim Chi,
• Tran Thi Huong Giang,
• Nguyen Thi Thanh Tu and
• Thanh-Danh Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1227–1237, doi:10.3762/bjnano.15.99

• temperature, and the reaction time, by using UV–vis spectroscopy. Changes in the physicochemical properties, such as morphology and particle size of AuNPs, were monitored through absorbance and the λmax values of the surface plasmon resonance (SPR) band. Figure 2 illustrates the impact of synthesis conditions

• attachment of nanoparticles to form larger aggregates, followed by coalescence [32][33]. Additionally, the morphology of AuNPs changes significantly at higher temperatures, as evidenced by a reduction in the λmax values. The optimization of reaction time was carried out within a range of 0 to 140 min. Figure

• the initial mass), suggesting the presence of inorganic components within the nanocomposite. SEM and TEM analyses were performed to determine the morphology, and XRD and SAED patterns were used to evaluate the crystalline structure of AuNPs@GluN/Alg, as illustrated in Figure 4. The SEM images show

Synthesis, characterization and anticancer effect of doxorubicin-loaded dual stimuli-responsive smart nanopolymers

• Ömür Acet,
• Pavel Kirsanov,
• Burcu Önal Acet,
• Inessa Halets-Bui,
• Dzmitry Shcharbin,
• Şeyda Ceylan Cömert and
• Mehmet Odabaşı

Beilstein J. Nanotechnol. 2024, 15, 1189–1196, doi:10.3762/bjnano.15.96

• increasing intensity in DOX-SNPs [33]. The inset in Figure 2 shows DOX-SNPs (red) and pure SNPs (white). Based on these results, the successful incorporation of DOX into SNPs has been demonstrated. Surface morphology and structure of the obtained SNPs were investigated by SEM. As seen in Figure 3, the SNPs

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

• forces generated charge carriers to move in opposite directions and suppresses charge recombination. Besides, surface morphology and optical properties of the the p–n TiO2/SiNWs catalyst are also beneficial for the photocatalytic activity. It is expected that the results of this study will provide

• morphology of SiNWs is characterized by individual nanowires that bunch together in a highly ordered manner, resulting in well-oriented Si NW arrays perpendicular to the Si bulk surface. Figure 2 shows cross-sectional- and top-view SEM images of the as-prepared TiO2/SiNWs sample. The TiO2/SiNWs arrays were

• well prepared with an average length of 4 µm. Moreover, the surface of the SiNWs was fully decorated by the TiO2 passivation layer and became blurry. The active pure 25 nm TiO2 layer exhibits flake-like morphology as displayed in Figure 2c,d. Optical properties Nanowire arrays offer a better optical

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

• only later fully decomposed. The close-up of the central region of the deposit (C) in Figure 1 shows a dark appearance with uniformly sized nanoparticles of about 5–10 nm. When moving away from the central area, three very distinct regions regarding the halo morphology are found. The first halo region

• cluster by enhanced diffusion. Finally, the second halo region (H2) depicts similar particle sizes around below 20 nm sitting on top of larger bright areas of 50–250 nm. The composition of the different halo regions was studied by EDX. Because of the rich morphology observed in the deposit, no thin-film

• that a significant portion of nanoparticles sits on the deposit surface. This is in contrast to the typical deposition morphology with metal nanoparticles in a carbonaceous matrix from FEBID with organometallic precursor compounds. The obtained silver content of about 0.6 atom % is very low. Apart from

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

• , these nuclei grow and accumulate within the alginate matrix, resulting in the formation of alginate-based nanoparticles. The morphology and size of the nanoparticles can be controlled by adjusting various specifications of materials such as the concentration of alginate, metal ion precursor, pH, and

• ensure efficacy and safety [58]. The most crucial characteristics of nanoparticles are particle size, morphology, zeta potential, and surface area. Morphology of nanoparticles: There are many tools available for determining the morphology of nanomaterials. However, the most commonly used methods are

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

• interest in many applications, such as photoelectronic devices, biochemical sensors, and surface-enhanced Raman spectroscopy (SERS) substrates, due to their high purity NPs as well as an easy method for altering the structures, NPs/NSs sizes, and morphology by tuning the laser parameters and surrounding

• , and (c) 1064 nm) in DW are shown. At 355 nm, a distinctive nanochain morphology linking spherical NPs was evident, contrasting with the separated spherical morphology. The prevalent interaction at 355 nm with the liquid phase was more influential than the NP production, resulting in particles with

• are greater than 20 nm. However, NPs obtained in an aqueous NaCl solution at a laser wavelength of 355 nm showed nanochain features with diameters smaller than 10 nm. Topographical studies of filter paper-loaded nanoparticles The morphology and distribution of ps laser-fabricated NPs on filter paper

Interface properties of nanostructured carbon-coated biological implants: an overview

• Mattia Bartoli,
• Francesca Cardano,
• Erik Piatti,
• Stefania Lettieri,
• Andrea Fin and
• Alberto Tagliaferro

Beilstein J. Nanotechnol. 2024, 15, 1041–1053, doi:10.3762/bjnano.15.85

• NDs by CVD at 400 °C and observed good proliferation of osteogenic cells on a bone implant, even better than on a commonly used surface. They suggested that the osteoblast proliferation was mainly due to the surface morphology and the good match between cells and surface potentials. Carbon-based

• both anticorrosion and antithrombotic elements. The authors used PVD for the deposition of a micrometer-thick coating on stainless steel, controlling morphology, roughness, and mechanical parameters. The coated surfaces showed a reduction of hemolysis of 40% and a corrosion resistance increment of 96

Bolometric IR photoresponse based on a 3D micro-nano integrated CNT architecture

• Yasameen Al-Mafrachi,
• Sandeep Yadav,
• Sascha Preu,
• Jörg J. Schneider and
• Oktay Yilmazoglu

Beilstein J. Nanotechnol. 2024, 15, 1030–1040, doi:10.3762/bjnano.15.84

• strongly influenced by the size and morphology of the catalyst particles. A correlation between cluster size and diameter of the CNT grown on it was shown in [15]. The effect of the growth temperature on the diameter distribution and chirality of single-walled carbon nanotubes can be found in [16]. A new

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

• membrane tension [69]. Thus, any treatment that affects cell morphology and thus may change membrane tension, could have an effect on actin dependency. In agreement with this is the finding that the insertion of lysolipids into the membrane made transferrin uptake more dependent on actin [70]. Knockdown of

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

• information regarding the NP morphology is obtained from simulated X-ray powder diffraction patterns as determined by Debye functional analysis [80]. The intensity of the diffracted coherent radiation, I, is given by where β = 2sin(θ)/λ, λ is the wavelength of the incident radiation, and 2θ is the scattering

• lower density than FCC, becomes less energetically prohibitive. When focusing on the morphology of the NPs, the coexistence of several small crystal domains interconnected via amorphous grain boundaries is favoured at higher temperatures, while the crystallization process at lower temperatures leads to

Electrospun nanofibers: building blocks for the repair of bone tissue

• Tuğrul Mert Serim,
• Gülin Amasya,
• Tuğba Eren-Böncü,
• Ceyda Tuba Şengel-Türk and
• Ayşe Nurten Özdemir

Beilstein J. Nanotechnol. 2024, 15, 941–953, doi:10.3762/bjnano.15.77

• production. With a coaxial needle design, two different solutions can be electrospun simultaneously, and core–shell or hollow fibers can be formed [47]. The main parameters affecting fiber morphology are described in the following. Process parameters Flow rate, voltage, distance, collector type

• solvent, it affects the fiber formation and the diameter/morphology of the obtained fibers. Therefore, the distance for electrospinning needs to be optimized [59]. Electrospraying can be observed when the distance is too short or too long. Also, if the distance is too short, the solvent of the polymer

• . Controlling the temperature influences the electrospinning process and is important for reproducibility [81][82]. The morphology of the fibers is affected by temperature. With the increase in temperature, smaller fiber diameters and smoother fibers are observed [81][83]; also, viscosity decreases with

Effects of cutting tool geometry on material removal of a gradient nanograined CoCrNi medium entropy alloy

• Yu-Sheng Lu,
• Yu-Xuan Hung,
• Thi-Xuyen Bui and
• Te-Hua Fang

Beilstein J. Nanotechnol. 2024, 15, 925–940, doi:10.3762/bjnano.15.76

• radius was fixed at 1 nm to analyze the surface morphology, atomic-scale wear, shear strain distribution, temperature distribution, and crystal structure evolution during cutting. Figure 2a–f shows the atoms that pile-up on the surface of the CoCrNi MEA substrates. The number of wear atoms during cutting

• chip thickness has the lowest average resultant force, consistent with the results of the surface morphology analysis in Figure 2. The subsurface quality of the workpiece significantly affects accuracy and durability in the machining process. To investigate the deformation mechanism of the subsurface

Facile synthesis of Fe-based metal–organic frameworks from Fe₂O₃ nanoparticles and their application for CO₂/N₂ separation

• Van Nhieu Le,
• Hoai Duc Tran,
• Minh Tien Nguyen,
• Hai Bang Truong,
• Toan Minh Pham and
• Jinsoo Kim

Beilstein J. Nanotechnol. 2024, 15, 897–908, doi:10.3762/bjnano.15.74

• the obtained MIL-100(Fe) depending on the H3BTC concentration. To further reinforce this statement, the morphology of all materials was examined via SEM analysis. Figure 3 reveals that Fe2O3 nanoparticles appeared in spherical shapes, while MIL-100(Fe) crystals displayed an octahedral morphology with

• sizes around 1 μm. The SEM images of M-100Fe@Fe2O3 samples showed polyhedral nanoparticles, indicating the successful preparation of MIL-100(Fe) crystals. It is important to note that the morphology of the obtained MIL-100(Fe) crystals depends on both the source of Fe-based precursor and the synthetic

Water-assisted purification during electron beam-induced deposition of platinum and gold

• Cristiano Glessi,
• Fabian A. Polman and
• Cornelis W. Hagen

Beilstein J. Nanotechnol. 2024, 15, 884–896, doi:10.3762/bjnano.15.73

• both deposition and etching, resulting in partially purified material within the BSE range. In this case, with the injection of the water precursor only, cleaning of the silicon substrate is the only process observed. At a larger number of passes (5000–10000), a change in the morphology of the

• substantiated by the BSE images of 2a, 2c, 2d, and 2f (Supporting Information File 1, p S32). The images of the purified structures in Figure 8, sample 2a at 5000 and 10000 passes, as well as those of the samples 1d and 1e in Figure 5, show a granular morphology. To investigate the degree of granularity and to