Search Results (58)

This year marks the tenth anniversary of the experimental discovery and structural identification of carbon honeycomb (CH) structures. One of the most prominent properties of CHs is their unique high sorption capacity, which may play an important role in numerous applications, such as Li/Na batteries, hydrogen storage and carbon dioxide capture, as well as in the production of unique composites. In this paper we examine how atoms captured in CHs can be distributed inside CH channels using argon as a neutral probing material. Through a comprehensive structural analysis of the high-energy electron diffraction data, we demonstrate that argon atoms are not randomly positioned, but are rather arranged in specific clusters within the CH nanochannels. In the paper we propose two different original approaches to the structural analysis of pure and argon-filled CHs. We have also revealed that not all CH channels of various sizes are filled with argon, considering the spatial confinement in the thinnest channels to be one of the reasons for such a behavior. It was also found that external conditions may play an important role in filling CHs with gases, particularly at growing temperatures, when atoms gradually desorb, first from the channels of the largest sizes. Full article

Diblock copolymers (BCP) consisting of poly(methyl methacrylate) (PMMA) and poly(1H,1H,2H,2H-perfluorodecyl methacrylate) (PsfMA) blocks are employed as templates for controlled dispersion and localization of multi-walled carbon nanotubes (MWCNT). Short MWCNT are modified with perfluoroalkyl groups to increase the compatibility between MWCNT and the semifluorinated (PsfMA) phase and to promote a defined arrangement of MWCNT in the BCP morphology. Thin BCP and BCP/MWCNT composite films are prepared by dip-coating using tetrahydrofuran as solvent with dispersed MWCNT. Atomic force microscopy, scanning and transmission electron microscopy reveal a strong tendency of the BCP to form micelle-like domains consisting of a PMMA shell and a semifluorinated PsfMA core, embedded in a soft phase, containing also semifluorinated blocks. MWCNT preferentially localized in the embedding phase outside the micelles. Perfluoroalkyl-modification leads to significant improvement in the dispersion of MWCNT, both in the polymer solution and the resulting nanocomposite film due to increased interaction of MWCNT with the semifluorinated side chains in the soft phase outside the micelle domains. As a result, reliable electrical conductivity is observed in contrast to films with non-modified MWCNT. Thus, well-dispersed, modified MWCNT provide a defined electrical conduction path at the micrometer level, which is interesting for applications in electronics and vapor sensing. Full article

In this study, a novel, highly efficient, environment friendly, and low-cost nanocatalyst, denoted as Ni(x)@Co−N−C, was successfully developed by encapsulating Ni nanoparticles into N-doped porous carbon derived from ZIF-67. A variety of techniques including powder X-ray diffraction (XRD), nitrogen adsorption/desorption, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectrometer (XPS) were used to characterize the prepared materials. The TEM images reveal that the nanoparticles were distributed homogeneously in the carbon support. The N atoms in the carbon support serve as the sites for the nucleation and uniform growth of Ni nanoparticles. The catalyst was used for the degradation of environmentally harmful 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). Among all the catalysts investigated, Ni(10)@Co-N-C exhibited the highest catalytic activity for the hydrogenation of 4-NP, with a specific reaction rate of 6.1 × 10⁻³ s⁻¹, activity parameter of 31 s⁻¹g⁻¹, and turn over frequency (TOF) of 1.78 × 10¹⁹ molecules g_metal⁻¹s⁻¹. On the other hand, the specific reaction rate and TOF value were 1.7 × 10⁻³ s⁻¹ and 6.96 × 10¹⁸ molecules g_metal⁻¹s⁻¹, respectively, for Co−N−C. This suggests that Ni(10)@Co−N−C is about three times more catalytically active than the Co−N−C catalyst. The superb activity of Ni(10)@Co−N−C in comparison to Co−N−C can be ascribed to the homogeneous dispersion of small-sized Ni nanoparticles, the interconnected three-dimensional porous arrangement of the support Co−N−C, the presence of N atoms in the carbon framework that stabilize metal nanoparticles, and the synergistic electronic effect between Ni and Co. The Ni(10)@Co−N−C catalyst maintained consistent catalytic activity over multiple cycles, which suggests that porous N-containing carbon support can effectively prevent aggregation and leaching of metal nanoparticles. The ICP-AES analysis of the recycled Ni(10)@Co−N−C revealed a slight reduction in metal content compared to the fresh sample, suggesting almost negligible leaching of metal nanoparticles. Full article

Graphene/CNT layers were deposited onto platinum electrodes of an interdigitated sensor using radio-frequency magnetron sputtering. The graphene/CNTs were synthesized in an Argon atmosphere at a pressure of (2 × 10⁻²–5 × 10⁻³) mbar, with the substrate maintained at 300 °C either through continuous heating with an electronically controlled heater or by applying a −200 V bias using a direct current power supply throughout the deposition process. The study compares the surface morphology, carbon atom arrangement within the layer volumes, and electrical properties of the films as influenced by the different methods of substrate heating. X-ray diffraction and Raman spectroscopy confirmed the formation of CNTs within the graphene matrix. Additionally, scanning electron microscopy revealed that the carbon nanotubes are aligned and organized into cluster-like structure. The graphene/CNT layers produced at higher pressures present exponential I–V characteristics that ascertain the semiconducting character of the layers and their suitability for applications in gas sensing. Full article

Introduction: Graphene, a two-dimensional arrangement of carbon atoms, has drawn significant interest in medical research due to its unique properties. In the context of bone regeneration, graphene has shown several promising applications. Its robust structure, electrical conductivity, and biocompatibility make it an ideal candidate for enhancing bone tissue regeneration and repair processes. Studies have revealed that the presence of graphene can stimulate the proliferation and differentiation of bone cells, thereby promoting the formation of new bone tissue. Additionally, its ability to act as an effective carrier for growth factors and drugs allows controlled release, facilitating the engineering of specific tissues for bone regeneration. Aim: To assess the efficacy of graphene in enhancing bone regeneration through in vitro studies, identify key safety concerns, and propose directions for future research to optimize its clinical applicability. Materials and methods: The present systematic review was carried out using the PRISMA 2020 guideline. A first search was carried out on 20 November 2023 and was later updated on 14 February and 15 April 2024 in the databases of PubMed, Scopus, and Web of Science. Those in vitro studies published in English that evaluated the potential for bone regeneration with graphene in dentistry and also those which met the search terms were selected. Furthermore, the quality of the studies was assessed following the modified CONSORT checklist of in vitro studies on dental materials. Results: A total of 17 in vitro studies met the inclusion criteria. Among these, 12 showed increased osteoblast adhesion, proliferation, and differentiation, along with notable enhancements in mineralized matrix formation. Additionally, they exhibited a significant upregulation of osteogenic markers such as RUNX and COL1 (p < 0.05). However, the variability in methodologies and a lack of long-term assessments were noted as critical gaps. Conclusions: The evaluation of the efficacy and safety of graphene in bone regeneration in dentistry revealed significant potential. However, it is recognized that clinical implementation should be approached with caution, considering identified areas of improvement and suggestions for future research. Future studies should focus on standardized experimental designs, including in vivo studies to evaluate long-term safety, immune responses, and vascularization processes in realistic biological environments. Full article

This research investigated the corrosion resistance of surface layers on low-carbon steel exposed to a chloride environment at room temperature. This study systematically evaluated the effects of varying pack compositions, coating temperatures, and application durations on the characteristics of the deposited coatings. The potentiodynamic polarization corrosion test was employed to assess the wet corrosion behavior of the specimens. Elemental compositions and microstructural features were analyzed using energy-dispersive X-ray spectroscopy (EDX) in conjunction with scanning electron microscopy (SEM), providing insights into phase distribution. The chromizing, titanizing, and chromotitanizing treatments were conducted at temperatures of 900 °C, 1000 °C, and 1100 °C, respectively, with varying coating times. X-ray diffraction analysis revealed a complex arrangement of elements and compounds within the coatings, including Cr, Ti, Cr_1.9Ti, FeTi, Al₂O₃, Cr₂O₃, TiO₂, Cr_1.36Fe_0.52, and (Ti_0.86)_3.58. The study found that as the deposition duration increased, the coating thickness increased, comprising a thin inner layer and a substantially thicker outer layer. This layered structure resulted from the outward diffusion of Fe atoms and the inward diffusion of Cr and Ti atoms. Electrochemical analysis in a 3.5% NaCl aqueous solution indicated a marked enhancement in the corrosion resistance of the coated specimens compared to their uncoated counterparts. The potentiodynamic polarization tests confirmed that the protective coatings significantly reduced the corrosion rate, with performance influenced by both the temperature and duration of the deposition process. These findings highlighted the potential of tailored coating techniques to improve the durability and performance of low-carbon steel in corrosive environments. Full article

The urgent demand for efficient CO₂ reduction technologies has driven enormous studies into the enhancement of advanced catalysts. Here, we investigate the electronic properties and CO₂ adsorption properties of Cu_mAg_n bimetallic clusters, particularly Cu₄Ag₁, Cu₁Ag₄, Cu₃Ag₂, and Cu₂Ag₃, using generalized gradient approximation (GGA)/density functional theory (DFT). Our results show that the atomic arrangement within these clusters drastically affects their stability, charge transfer, and catalytic performance. The Cu₄Ag₁ bimetallic cluster emerges as the most stable structure, revealing superior charge transfer and effective chemisorption of CO₂, which promotes effective activation of the CO₂ molecule. In contrast, the Cu₁Ag₄ bimetallic cluster, in spite of comparable adsorption energy, indicates insignificant charge transfer, resulting in less pronounced CO₂ activation. The Cu₃Ag₂ and Cu₂Ag₃ bimetallic clusters also display high adsorption energies with remarkable charge transfer mechanisms, emphasizing the crucial role of metal composition in tuning catalytic characteristics. This thorough examination provides constructive insights into the design of bimetallic clusters for boosted CO₂ reduction. These findings could pave the way for the development of cost-effective and efficient catalysts for industrial CO₂ reduction, contributing to global efforts in carbon management and climate change mitigation. Full article

Small bifunctional molecules are attractive for use as models in different areas of knowledge. How can their functional groups interact in solids? This is important to know for the prediction of the physical and chemical properties of the materials based on them. In this study, two new hydrogen-bonded organic frameworks (HOFs) based on sterically demanding molecular compounds, bis(1-hydroxy-2-methylpropane-2-aminium) sulfate (1) and 2-methyl-4-oxopentan-2-aminium hydrogen ethanedioate hydrate (2), were synthesized and fully characterized by means of FTIR and NMR spectroscopies, as well as by X-ray powder diffraction and thermogravimetric analyses. Their molecular and crystal structures were established through single-crystal X-ray diffraction analysis. It was shown that both compounds have a layered structure due to the formation of a 2D hydrogen-bonding network, the layers being linked by systematically arranged Van der Waals contacts between the methyl groups of organic cations. To unveil some dependencies between the chemical nature of bifunctional molecules and their solid structure, Hirschfeld surface (HS) analysis was carried out for HOFs 1, 2, and their known congeners 1-hydroxy-2-methylpropan-2-aminium hemicarbonate (3) and 1-hydroxy-2-methylpropan-2-aminium (1-hydroxy-2-methylpropan-2-yl) carbamate (4). HS was performed to quantify and visualize the close intermolecular atomic contacts in the crystal structures. It is clearly seen that H–H contacts make the highest contributions to the amino alcohol based compounds 1, 3 and 4, with a maximal value of 65.2% for compound 3 having CO₃²⁻ as a counterion. A slightly lower contribution of H–H contacts (64.4%) was found for compound 4, in which the anionic part is represented by 1-hydroxy-2-methylpropan-2-yl carbamate. The significant contribution of the H–H contacts in the bifunctional moieties is due to the presence of a quaternary carbon atom with a short three-carbon chain. Full article

Carbon nanotubes (CNTs) are cylindrical-shaped materials composed of hexagonally arranged hybridized carbon atoms with versatility in synthesis methods and diverse applications. This review is focused on the fabrication, physicochemical and spectroscopic characterization, and industrial applications of CNTs. This review discusses some promising synthesis methods for the preparation of CNTs such as catalytic chemical vapor deposition, arc discharge, and laser ablation. A comparative discussion is made between these synthesis methods in terms of strengths, opportunities and challenges. Furthermore, functionalization and purification of CNTs’ surface leading to improved functionality has also been highlighted in this article. Finally, the analytical techniques employed to shed light on the physicochemical and morphological properties of CNTs are described. Full article

Since the discovery of metal-catalyzed azide–alkyne cycloadditions, 1,2,3-triazoles have been widely used as linkers for various residues. 1,2,3-Triazole is an aromatic five-membered cyclic compound consisting of three nitrogen and two carbon atoms with large dipoles that absorb UV light. In the past decade, we have been working on the synthesis of dense triazole polymers possessing many 1,2,3-triazole residues linked through a carbon atom in their backbone as a new type of functional polymer. Recently, we reported that stereoregular dense triazole uniform oligomers exhibit a circular dichroism signal based on the chiral arrangement of two neighboring 1,2,3-triazole residues. In this study, to investigate the chiral conformation of two neighboring 1,2,3-triazole residues in stereoregular dense triazole uniform oligomers, density functional theory (DFT) calculations were performed using 1,2,3-triazole diads with different substitution positions and conformations as model compounds and compared with our previous results. Full article

In this study, we present a comprehensive first-principles computational investigation focused on the structural characteristics, electronic properties, and coupling integrations of three cationic Gemini surfactants: 12-4-12, 12-3-12, and 12-2-12 ((CH₃(CH₂)₁₁)(CH₃)₂-N⁺-(CH₂)_n-N⁺(CH₃(CH₂)₁₁)(CH₃)₂, where n = 2, 3, or 4). By employing Density Functional Theory (DFT) computations, we aimed to gain insights into the fundamental aspects of these surfactant molecules, and the intermolecular interactions among these surfactant molecules. We examined different conformers of each surfactant, including parallel, wing, and bent conformers, and compared their relative stability and properties. We elucidated that the complex structural characteristics, electronic properties, and molecular arrangements of the surfactants vary according to the number of carbon atoms in the central spacer. We also conducted experimental Raman spectroscopy on the three surfactants to compare the results with our computational findings. Furthermore, we computed the coupling behaviors of different conformers of 12-4-12 surfactants in order to gain insights into their coupling mechanism. Full article

Graphene, a two-dimensional material consisting of a single layer of carbon atoms arranged in a honeycomb lattice, has shown great potential in various fields, including biomedicine. When it comes to vaccine development, graphene can offer several advantages due to its unique properties. Potential applications of graphene in vaccine development include improved vaccine delivery, adjuvant properties, improved vaccine stability, improved immune response, and biosensing capabilities. Although graphene offers many potential benefits in vaccine development, there are also some drawbacks and challenges associated with its use. Although graphene shows promising potential for vaccine development, overcoming the challenges and limitations associated with its use is critical to realizing its full potential in the field of immunization. Further research and development efforts are needed to overcome these drawbacks and take advantage of graphene for improved vaccine formulations. In this review, we focus on the advantages and disadvantages of graphene for vaccine development. Full article

Nitrogen-doped graphene has been increasingly utilized in a variety of energy-related applications, serving as a catalyst or support material for fuel cells, and as an anode material for lithium-ion batteries, among others. The thermal reduction of graphene oxide (GO) in nitrogenous sources to incorporate nitrogen, producing nitrogen-doped reduced graphene oxide (NRGO), is the most favored method. Controlling atomic configurations of nitrogen-doped sites is the key factor for tailoring the physico-chemical properties of NRGO, but major challenges remain in identifying detailed atomic arrangements at nitrogen binding sites on highly defective and chemically functionalized GO surfaces. In this paper, we present atomistic-scale modeling of the nitrogen doping process of GO with different types of vacancy defects. Molecular dynamics simulations using a reactive force field indicate that the edge carbon atoms on defect sites are the dominant initiation location for nitrogen doping. Further, first-principles calculations using density functional theory present energetically favorable chemical transition pathways for nitrogen doping. The significance of this work lies in providing important chemical insights for the effective control of the desired properties of NRGO by suggesting a detailed mechanism of the nitrogen doping process of GO. Full article

Graphene, a single layer of carbon atoms arranged in a two-dimensional lattice, has emerged as a material of immense scientific and technological interest. This review article provides a comprehensive overview of the various synthesis techniques for graphene, including chemical vapor deposition (CVD), epitaxial growth on SiC, mechanical cleavage, and exfoliation of graphite oxide. The article further delves into the distinctive electronic, mechanical, optical, and thermal properties of graphene that make it a promising material for numerous applications. From high electrical conductivity to remarkable strength and unique optical characteristics, graphene’s attributes are explored in detail. The thermal stability of graphene, its interaction with different substrates, and potential applications in electronic devices are also discussed. The review concludes with a summary of the current state of research and prospects for future exploration, emphasizing graphene’s potential to revolutionize various industrial sectors. Full article

This study reports the development of a novel amphiphobic coating. The coating is a bilayer arrangement, where carbon nanotubes (CNTs) form the underlayer and fluorinated alkyl-silane (FAS) forms the overlayer, resulting in the development of highly amphiphobic coatings suitable for a wide range of substrates. The effectiveness of these coatings is demonstrated through enhanced contact angles for water and artificial blood plasma fluid on glass, stainless steel, and porous PTFE. The coatings were characterized using Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), atomic force microscopy (AFM), and contact angle (CA) measurements. The water contact angles achieved with the bilayer coating were 106 ± 2°, 116 ± 2°, and 141 ± 2° for glass, stainless steel, and PTFE, respectively, confirming the hydrophobic nature of the coating. Additionally, the coating displayed high repellency for blood plasma, exhibiting contact angles of 102 ± 2°, 112 ± 2°, and 134 ± 2° on coated glass, stainless steel, and PTFE surfaces, respectively. The presence of the CNT underlayer improved plasma contact angles by 29%, 21.7%, and 16.5% for the respective surfaces. The presence of the CNT layer improved surface roughness significantly, and the average roughness of the bilayer coating on glass, stainless steel, and PTFE was measured to be 488 nm, 301 nm, and 274 nm, respectively. Mechanistically, the CNT underlayer contributed to the surface roughness, while the FAS layer provided high amphiphobicity. The maximum effect was observed on modified glass, followed by stainless steel and PTFE surfaces. These findings highlight the promising potential of this coating method across diverse applications, particularly in the biomedical industry, where it can help mitigate complications associated with device–fluid interactions. Full article