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

• , a large number of materials have been reported as ETLs/HTL materials, such as carbon [15], copper iodide [16], CuSbS2, NiO, CuSCN [17], ZnO, and CdS [18]. These materials promote efficient extraction of charge carriers and suppress recombination between the perovskite film and the electrodes. But in

Introducing third-generation periodic table descriptors for nano-qRASTR modeling of zebrafish toxicity of metal oxide nanoparticles

• Supratik Kar and
• Siyun Yang

Beilstein J. Nanotechnol. 2024, 15, 1142–1152, doi:10.3762/bjnano.15.93

• range of substances that can be categorized as carbon-based, metal oxides, semiconductors, polymers, clays, emulsions, or metals [2]. Metal oxide nanoparticles (MONPs) are metallic oxides that exist within the nanoscale range and can be intentionally created or occur naturally [3]. Under the rapid

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

• industrial chemicals and energy. However, CH4 is a major precursor for tropospheric ozone, causing severe air pollution. Because of its rising atmospheric concentration, CH4 poses a global warming potential approximately thirty fold larger than that of carbon dioxide (CO2) [1][2][3]. Therefore, it is a

• challenging mission to eliminate CH4 from the atmosphere. Conventionally, CH4 activation is carried out at high temperatures (>650 °C) via thermal methane conversion to value-added products. However, combustion of CH4 for energy production usually generates great amounts of carbon dioxide as well as coke

• activity of TiO2/SiNWs sample under aerobic conditions is described in Figure 5. In a batch reactor, the photocatalytic CH4 oxidation progresses as a function of irradiation time. Besides ethane (C2H6), carbon dioxide (CO2) was detected as a by-product. Moreover, propane (C3H8) and H2 were observed as

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

• b. The LCPD maps are derived from where zsurf is given by the z coordinate of the uppermost carbon atom of the GNR. s is varied from 0.17 to 1.2 nm. Additional details about the density functional theory (DFT) calculations performed in this work are given in Supporting Information File 1. Results

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

• fabrication of nano-optical components, where the actual geometry in combination with the material composition governs the optical response of the device [13]. However, typically a dominant carbon portion is present in the deposit due to the use of organometallic precursors [9][14], which poses practical

• that was found in the deposit, despite the large number of carbon atoms in the ligands, was attributed to the thermodynamically favorable release of CO2 upon ligand cleavage [31]. All successfully tested silver carboxylates exhibit a generally high reactivity and sensitivity upon electron beam impact

• . Compared to the typically obtained granular structure of metallic nanoparticles in a carbonaceous matrix, the deposit composition and chemistry evolution are unexpected. The resulting deposit exhibits a carbon-rich body with a surface decorated with silver nanoparticles and an interfacial layer of

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

• include conductive polymers, enzymes, carbon nanotubes, and molecularly imprinted polymers (MIPs). MIPs function similarly to enzymes, producing polymeric cross-linked active sites for certain analytes. MIPs were initially used in optical sensing, but they have lately been examined in electrochemical

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

• acoustic wave (SAW) sensors, microelectromechanical systems (MEMS), carbon nanotubes, and chemiresistive sensors. SERS-active substrates encounter obstacles in translation toward practical applications, primarily due to the difficulty of sample collection. As a result, there is a persistent need for

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

• can be achieved through several processes. Among them, the production of specialized coatings based on carbon-based materials stands very promising. The use of carbon coatings allows one to simultaneously fine-tune tribological, mechanical, and chemical properties. Here, we review applications of

• nanostructured carbon coatings (nanodiamonds, carbon nanotubes, and graphene-related materials) for the improvement of the overall properties of medical implants. We are focusing on biological interactions, improved corrosion resistance, and overall mechanical properties, trying to provide a complete overview

• within the field. Keywords: biocompatibility; carbon nanotubes; coatings; graphene; nanodiamonds; surfaces; Introduction For centuries, the simple manipulation of natural resources has represented the only available strategy for the realization of artifacts, buildings, and innovations, until the

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

• Anorganische und Physikalische Chemie, Technical University of Darmstadt, 64287 Darmstadt, Germany 10.3762/bjnano.15.84 Abstract A new 3D micro-nano integrated M-shaped carbon nanotube (CNT) architecture was designed and fabricated. It is based on vertically aligned carbon nanotube arrays composed of low

• for non-cryogenic IR microbolometer technology, carbon nanotubes (CNTs) have emerged as highly promising candidates [2] with broadband blackbody absorption [3], high resistance perpendicular to the CNT orientation [4], low lateral thermal conductivity [5], a high temperature coefficient of resistance

• nanoparticles at ≈750 °C. Finally, the samples were synthesized by water-assisted chemical vapor deposition (CVD) at 800 °C, similar to the CVD process presented in [13][14], to achieve a crystalline graphitic nature of the carbon nanotubes. Argon was used as the carrier gas and ethylene as the carbon source. A

Ca_n neutral clusters: a two-step G₀W₀ and DFT benchmark

• Sunila Bakhsh,
• Sameen Aslam,
• Muhammad Khalid,
• Muhammad Sohail,
• Sundas Zafar,
• Sumayya Abdul Wadood,
• Kareem Morsy and
• Muhammad Aamir Iqbal

Beilstein J. Nanotechnol. 2024, 15, 1010–1016, doi:10.3762/bjnano.15.82

• ; density functional theory; G0W0 approximation; ionization potentials; magic clusters; Introduction Calcium metal has a closed shell structure and belongs to the group IIA alkaline-earth metals [1]. It has been widely used in carbon-chemical engineering (coating fullerene in hydrogen storage), optics, and

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

• 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

Identification of structural features of surface modifiers in engineered nanostructured metal oxides regarding cell uptake through ML-based classification

• Indrasis Dasgupta,
• Totan Das,
• Biplab Das and
• Shovanlal Gayen

Beilstein J. Nanotechnol. 2024, 15, 909–924, doi:10.3762/bjnano.15.75

• model of 109 surface modifiers. As seen in Figure 3, uptake-promoting and uptake-impairing fingerprints can be matched into fewer structural features/fingerprint groups, as explained below. A long aliphatic carbon chain of the surface modifiers in ENMOs is highly beneficial for improved uptake in the

• Bayesian analysis, it was also identified that certain favorable fingerprints (UPh 2 and UPh 14 fingerprints in Figure 4) include a double-bonded carbon in the structure for better cellular uptake. The descriptor maxHBd indicates the maximum E-States for (strong) hydrogen bond donors [55] and contributes

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

• precursor MeCpPtMe3. As a water precursor MgSO4·7H2O was used. The purification during deposition led to a decrease of the carbon-to-gold ratio (in atom %) from 2.8 to 0.5 and a decrease of the carbon-to-platinum ratio (in atom %) from 6–7 to 0.2. The purification was done in a regular scanning electron

• ligands are removed. However, in most cases, a large amount of the carbon from the organic ligands is incorporated in the deposits. The removal of the carbonaceous material and, hence, the increase of metallic content of FEBID structures is ultimately important for the performance of the obtained

• structures in applications such as nanoprobes and sensors [4][5][6], or for the fabrication of superconductors [7][8][9][10] and plasmonic devices [11][12][13]. A lower carbon content can be achieved by means of precursor design [14], variation of deposition conditions [15], or post-deposition purification

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

• carbon dioxide for 10–15 s before being connected to the force transducer by a string of fishing line (0.18 mm) at the mesothorax at the estimated center of mass [33][48]. The animals were allowed to recover for some minutes until they were responding to being lifted off the substrate with leg movements

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

• , which can be classified according to their chemical composition in inorganic, carbon-based, organic, and composite NMs (Figure 4). In organic molecules, a wide range of descriptors are obtained from the topology of the molecule, arising from the rich variety of structural motifs that can be found and

• abundant families among the carbon-based NMs are nanotubes and fullerenes; they are also considered inorganic and have a simple chemical composition (mostly carbon). Hence, classical organic molecular descriptors are not commonly found in the core composition, although they are potentially applicable to

• , the nanoform identification of certain materials, such as pristine carbon nanoforms, does not really describe the composition (pure carbon) but the nanostructure (shape and composition of nanotubes or fullerenes) [40]. Otherwise, the single-formula representation of the chemical composition of a

Intermixing of MoS₂ and WS₂ photocatalysts toward methylene blue photodegradation

• Maryam Al Qaydi,
• Nitul S. Rajput,
• Michael Lejeune,
• Abdellatif Bouchalkha,
• Mimoun El Marssi,
• Steevy Cordette,
• Chaouki Kasmi and
• Mustapha Jouiad

Beilstein J. Nanotechnol. 2024, 15, 817–829, doi:10.3762/bjnano.15.68

• additional peaks observed in all XRD diagrams at ≈37° and ≈69° positions are due to the silicon substrate. The X-ray photoelectron spectroscopy (XPS) survey scans and high-resolution scans for all samples are presented in Figure 3a–j. All XPS analyses were first calibrated using the C 1s peak of carbon at

• considered samples. The specimens were prepared by drop casting a solution of the exfoliated samples on lacey carbon transmission electron microscopy (TEM) grids. Additionally, agglomeration of the flakes can be usually observed as well, which could be due to the effect of the solvent used for drop casting

• microscope (Cs-corrected Titan, Thermo Fisher Scientific). Thin carbon-coated Cu mesh grids were used to prepare TEM samples by the drop-casting method. The surface chemical bonding states and composition of the samples were determined with a scanning XPS microprobe (PHI VersaProbe III, Physical Electronics

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

• % purity; the sputtered atoms traveled to the second chamber, where a shower of Pd atoms was generated on the second magnetron from a palladium target with 99.99% purity. The BNPs generated by condensation passed through a quadrupole mass filter for size selection and were finally deposited on holey carbon

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

• ultrahigh-vacuum conditions [8]. The deposits had an Fe/C/O composition similar to those obtained from Fe(CO)5, which was surprising since the methyl acrylate ligand has a high carbon content. This opens a fundamental question of how much can a change in one ligand change the outcome of electron-induced

Exploring surface charge dynamics: implications for AFM height measurements in 2D materials

• Mario Navarro-Rodriguez,
• Andres M. Somoza and
• Elisa Palacios-Lidon

Beilstein J. Nanotechnol. 2024, 15, 767–780, doi:10.3762/bjnano.15.64

• function of the applied bias voltage (Vbias) for different tip–sample distances (z). This way, interaction images I(Vbias, z) are obtained and later processed to obtain the relevant information from each channel. Results and Discussion GO and rGO belong to the graphene family. In GO, the carbon basal plane

Green synthesis of biomass-derived carbon quantum dots for photocatalytic degradation of methylene blue

• Dalia Chávez-García,
• Mario Guzman,
• Viridiana Sanchez and
• Rubén D. Cadena-Nava

Beilstein J. Nanotechnol. 2024, 15, 755–766, doi:10.3762/bjnano.15.63

• . This study introduces an innovative approach to mitigate water pollution through the synthesis of nanomaterials using biomass-derived carbon quantum dots (CQDs) from grape pomace and watermelon peel. Utilizing the hydrothermal method at temperatures between 80 and 160 °C over periods ranging from 1 to

• -conversion luminescence. The results revealed effective photocatalytic degradation of methylene blue under sunlight, highlighting the potential for scalable production of these cost-effective catalytic nanomaterials for synthetic dye degradation. Keywords: biomass; carbon dots; catalysis; methylene blue

• ][12][13][14]. Researchers are exploring innovative approaches, such as advanced oxidation processes, nanotechnology-based methods, and biological treatment systems, which show promise in effectively removing pollutants from wastewater [14][15][16]. In this research, we focus on the synthesis of carbon

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

• cracking. This phenomenon was manifested, for example, during SEM measurements, when the sample was locally heated by an electron beam, as shown in Figure 1. Simultaneously, exposing the samples to thermal processing results in a reduction of the content of carbon atoms. On this basis, it is postulated

• that, under the influence of temperature, organic compounds are released from the material, leading to the formation of discontinuities within the layers. Therefore, the HT+RTA sequencing procedure was developed. The modification aimed to obtain continuous layers with minimal carbon compound content

• reduced carbon content, were achieved by annealing samples at 450 °C for 5 min in O2/N2 (1:1) atmosphere. Table 1 provides a summary of the average thicknesses and elemental content of the CuO films. Notably, EDX results demonstrate that the newly developed HT+RTA approach significantly reduces the carbon

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

• beam workstation Helios Nanolab 650. Both types of test structures were fabricated using 30 kV accelerating voltage and an ion beam current of I = 900 pA. The chamber pressure was not higher then 10−6 mbar. A layer of platinum and amorphous carbon (Pt + a-C) was deposited onto the manufactured

• krypton–carbon interaction potential [41] and the default surface binding model. For silicon atoms, both in chemically pure silicon and in silicon dioxide, the surface binding energy was set equal to 4.72 eV, while an oxygen surface binding energy of 2.58 eV was chosen according to [40]. The number of

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

• , cost-effectiveness, and reliability. The use of modified electrodes has shown to improve significantly electrocatalytic activity and electrical conductivity of electrodes. Graphene, with sp2-hybridized carbon atoms in a single layer, has gained much attention because of its unique physicochemical

• and food waste) is a renewable resource for the preparation of high-value carbon materials. Among food wastes, coffee grounds are a promising precursor to prepare GQDs with new functionalities regarding a more sustainable materials industry [16]. Considering the fields of catalysis and

• numbers in parentheses stand for the volume ratio of peroxo titanium complex to GQDs solutions. Electrochemical studies Voltammetric measurements were performed at room temperature using a CPA-HH5 electrochemical workstation, Vietnam. A conventional three-electrode cell with a glassy carbon working

Gold nanomakura: nanoarchitectonics and their photothermal response in association with carrageenan hydrogels

• Nabojit Das,
• Vikas,
• Akash Kumar,
• Sanjeev Soni and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2024, 15, 678–693, doi:10.3762/bjnano.15.56

• hydrogels is not well reported. In this study, nanomakura-shaped anisotropic gold nanoparticles (AuNMs) were synthesized via a surfactant-assisted seed-mediated protocol. Quaternary cationic surfactants having variable carbon tail length (n = 16, 14, 12) were used as capping for tuning the plasmon peak of

• gold nanomakura within a 600–700 nm wavelength. The aspect ratio as well as anisotropy of synthesized gold nanomakura can influence photothermal response upon near-infrared irradiation. The role of carbon tail length was evident via absorption peaks obtained from longitudinal surface plasmon resonance

• bromide (MTAB, C14) and dodecyltrimethylammonium bromide (DTAB, C12) with carbon tails containing 14 and 12 carbon atoms, respectively, other than hexadecyltrimethylammonium bromide (CTAB, C16), which has 16 carbon atoms in the carbon tail via seed-mediated growth method described elsewhere [24]. We

Functional fibrillar interfaces: Biological hair as inspiration across scales

• Guillermo J. Amador,
• Brett Klaassen van Oorschot,
• Caiying Liao,
• Jianing Wu and
• Da Wei

Beilstein J. Nanotechnol. 2024, 15, 664–677, doi:10.3762/bjnano.15.55

• [148]. Based on this knowledge, bio-inspired, fibrillar chemical sensors have been developed [149][150]. Furthermore, insects can utilize hairs to sense atmospheric carbon dioxide [151][152]. The human scalp follicles also possess an olfactory perception and can even stimulate hair growth upon exposure