Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study

• Kamal Kumar,
• Nora H. de Leeuw,
• Jost Adam and
• Abhishek Kumar Mishra

Beilstein J. Nanotechnol. 2024, 15, 1440–1452, doi:10.3762/bjnano.15.116

• applications. However, the metallic nature of these materials restricts their applications in specific domains. Strain engineering is a versatile technique to tailor the distribution of energy levels, including bandgap opening between the energy bands. ψ-Graphene is a newly predicted 2D nanosheet of carbon

• two-dimensional (2D) material, consisting of a single layer of sp2-hybridized carbon atoms arranged together in a hexagonal lattice [1]. Because of its extraordinary electrical and thermal conductivity, large surface area, and easy chemical functionalization, it provides a variety of applications in

• % compressive uniaxial strain [34]. At 6% strain, a maximum bandgap of 389 meV and 379 meV was observed for uniaxial and biaxial strains, respectively. When the applied strain exceeds a threshold of 8%, the bandgap of silicene disappears [34]. In 2017, Li et al. predicted a new 2D allotrope of carbon atoms

Ion-induced surface reactions and deposition from Pt(CO)₂Cl₂ and Pt(CO)₂Br₂

• Mohammed K. Abdel-Rahman,
• Patrick M. Eckhert,
• Atul Chaudhary,
• Johnathon M. Johnson,
• Jo-Chi Yu,
• Lisa McElwee-White and
• D. Howard Fairbrother

Beilstein J. Nanotechnol. 2024, 15, 1427–1439, doi:10.3762/bjnano.15.115

• depositions at elevated temperatures to induce Pt deposition and to remove carbon by hydrogenation to volatile hydrocarbons or oxidation to form H2O, CO, and CO2 as volatile products. In contrast, this precursor results in Pt purities of less than 20% in FEBID [30][31], while FIBID has been shown to provide

• ion beam. For Pt deposits, although MeCpPtMe3 meets the volatility and stability requirements, the inability to directly desorb the cyclopentadienyl ligands results in significant carbon contamination upon ion irradiation [21]. Alternatives to the carbon-rich MeCpPtMe3 complex are the four coordinate

• , Pt(CO)2Br2 [55] and Pt(CO)2Cl2 [55][57] have been explored as FEBID precursors. The compositions of deposits from these precursors varied with the deposition conditions. Under UHV conditions, the deposits were carbon-free but contained significant halogen contamination, which could be removed only

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

• substrates and were representative of a covalent carbon-sulfur bond [43]. AFM highlighted the level of roughness at each stage of the coating to show a rougher topography for the final layer. Results for each layer of the coating are shown in Supporting Information File 1, Figure S1 and reported as root mean

• 1s high-resolution scan, C–C carbon can be found at 285 eV and the fluorinated groups, CF2 and CF3, are observed at 290.6 and 293 eV, respectively. See Supporting Information File 1 for high-resolution S 2p XPS spectra. SFG spectra of the final layer in the SLIPs coating. SFG spectra from 1100 to

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

• , Turkey 10.3762/bjnano.15.110 Abstract In this study, we aimed to synthesize new carbon dot structures (CDs) in a single step by using the plant Rheum Ribes for the first time and to contribute to the studies in the field of diode fabrication by using the new CDs. The CDs were obtained by hydrothermal

• behavior. The results obtained from this study showed that CDs can be applied in the field of electronics, apart from sensor studies, which are common application areas. Keywords: carbon dot (CD) structures; green synthesis; Rheum Ribes plant; Schottky diode; Introduction One of the most current types of

• nanostructures are carbon dot structures (CDs). These structures have recently become a common field of study because of their properties including chemical stability, water solubility, and easy synthesis and functionalization. Carbon dots, were first discovered by Xu and his working group [1] while purifying

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

• 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

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

• modeling, including reactive classical molecular dynamics and ab initio calculations, we reveal that TA preferentially binds to the most reactive sites on GO surfaces via the oxygen-containing groups or the carbon matrix; van der Waals interaction forces dominate the binding energy. TA exhibits a dose

• composition analyzed by X-ray photoelectron spectroscopy (XPS) is 68% of carbon and 32% of oxygen. The functional groups and bonds of carbon are distributed among epoxy/hydroxy (C–O) (52%), carboxyl/esters (C=O) (9.4%), and π–π* (4.2%) moieties, besides graphitic/aromatic carbon (C sp2) (5.7%) and aliphatic

• carbon (C sp3) (28%). The properties of this material are in accordance with other GO samples used for nanotoxicology and environmental applications. In this work, we characterized the material after interaction with the moderately hard reconstituted water defined by the U.S. Environmental Protection

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

• morphologies and the compositions of the calcined samples were evaluated by scanning electron microscopy (SEM-EDS), using a FEI Quanta 3D FEG instrument equipped with the Octane Elect EDS system. The powder samples were placed on double-sided carbon tape and recorded without coating at accelerating voltages of

New design of operational MEMS bridges for measurements of properties of FEBID-based nanostructures

• Bartosz Pruchnik,
• Krzysztof Kwoka,
• Ewelina Gacka,
• Dominik Badura,
• Piotr Kunicki,
• Andrzej Sierakowski,
• Paweł Janus,
• Tomasz Piasecki and
• Teodor Gotszalk

Beilstein J. Nanotechnol. 2024, 15, 1273–1282, doi:10.3762/bjnano.15.103

• of the nanostructures into larger devices remains one of the major challenges, especially when non-silicon materials (such as carbon nanotubes or multimaterial nanowires) are used [8][9][10]. Among the fabrication methods, particle beam-based methods offer the greatest versatility for rapid

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

• males and eleven females with carbon dioxide, dissected their forelegs and observed them under a stereomicroscope Leica MZ6 (Leica Microsystem GmbH, Wetzlar, Germany). To obtain semithin sections, the tibiae of six insects were dissected under the stereomicroscope. Samples were then fixed for 3 h in 2.5

• efficiency We evaluated particle removal efficiency in experiments with intact and ablated insects, with their foretibial grooming structures artificially removed. To prepare ablated insects, they were anesthetized with carbon dioxide for 60 s, and the tibial grooming structures of the forelegs were

Dual-functionalized architecture enables stable and tumor cell-specific SiO₂NPs in complex biological fluids

• Iris Renata Sousa Ribeiro,
• Raquel Frenedoso da Silva,
• Romênia Ramos Domingues,
• Adriana Franco Paes Leme and
• Mateus Borba Cardoso

Beilstein J. Nanotechnol. 2024, 15, 1238–1252, doi:10.3762/bjnano.15.100

• at 100 °C and the percentages of carbon, nitrogen, and hydrogen were obtained. It is noteworthy that only the nitrogen percentages were considered for the calculations. The elemental composition of the NP surface was obtained using a K-Alpha XPS (Thermo Fisher Scientific) which operates with Al Kα X

AI-assisted models to predict chemotherapy drugs modified with C₆₀ fullerene derivatives

• Jonathan-Siu-Loong Robles-Hernández,
• Dora Iliana Medina,
• Katerin Aguirre-Hurtado,
• Marlene Bosquez,
• Roberto Salcedo and
• Alan Miralrio

Beilstein J. Nanotechnol. 2024, 15, 1170–1188, doi:10.3762/bjnano.15.95

• in pharmacy and medicine is carbon-based nanomaterials because of their physicochemical, mechanical, electrical, thermal, and optical properties [19][20], as well as their capacity to modify existing drugs. Fullerene derivatives have been proposed recently, particularly those obtained from fullerene

• the carbonyl group is the more nucleophilic center, whereas there are two positive-density regions near the carbonyl group and in the C–C bond next to the amine-substituted carbon atom. Both pharmaceutical agents are susceptible to interaction with fullerenes to form a force dispersion complex as it

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