Carbon Fullerenes Research Articles

An Insight into Carbon Nanomaterial-Based Photocatalytic Water Splitting for Green Hydrogen Production

At present, the energy shortage and environmental pollution are the burning global issues. For centuries, fossil fuels have been used to meet worldwide energy demand. However, thousands of tons of greenhouse gases are released into the atmosphere when fossil fuels are burned, contributing to global warming. Therefore, green energy must replace fossil fuels, and hydrogen is a prime choice. Photocatalytic water splitting (PWS) under solar irradiation could address energy and environmental problems. In the past decade, solar photocatalysts have been used to manufacture sustainable fuels. Scientists are working to synthesize a reliable, affordable, and light-efficient photocatalyst. Developing efficient photocatalysts for water redox reactions in suspension is a key to solar energy conversion. Semiconductor nanoparticles can be used as photocatalysts to accelerate redox reactions to generate chemical fuel or electricity. Carbon materials are substantial photocatalysts for total WS under solar irradiation due to their high activity, high stability, low cost, easy production, and structural diversity. Carbon-based materials such as graphene, graphene oxide, graphitic carbon nitride, fullerenes, carbon nanotubes, and carbon quantum dots can be used as semiconductors, photosensitizers, cocatalysts, and support materials. This review comprehensively explains how carbon-based composite materials function as photocatalytic semiconductors for hydrogen production, the water-splitting mechanism, and the chemistry of redox reactions. Also, how heteroatom doping, defects and surface functionalities, etc., can influence the efficiency of carbon photocatalysts in H2 production. The challenges faced in the PWS process and future prospects are briefly discussed.

Zero to Three Dimension Structure Evolution from Carbon Allotropes to Phosphorus Allotropes

AbstractAs the promising and highly‐focused materials after silicon, carbon, and phosphorus promote the development of nanotechnology due to its allotropes with unique structures and properties. The carbon allotropes of 0D fullerene, 1D carbon nanotube, and 2D graphene stimulate the investigation of structures, synthesis, properties, and further applications of carbon nanomaterials. Analogous to carbon, phosphorus is demonstrated to have a rich phase diagram. 0D phosphorus fullerenes, 1D phosphorus nanotubes and fibrous red phosphorus, and recently 2D black phosphorene and violet phosphorene have unique structures analogous to carbon fullerene, carbon nanotube, and graphene, is developed. The photoelectronic properties and further applications of the phosphorus allotropes as semiconductors, energy storage materials, biomaterials, and sensors are also investigated. Great efforts are dedicated to studies of the synthesis, structure, and properties of carbons and phosphorus. However, there is no systematic review of the structure of phosphorus allotropes compared to carbon allotropes. Herein, the structures along with possible future perspective of carbon and phosphorus allotropes review and compare in this work based on the classification of different dimensions.

Nanotubes and fullerene as efficient nanocarriers for delivery of mitocans to hexokinase 2: An in-silico approach

Mitocans are a group of drugs known to target the mitochondria of cancer cells. Mitochondria being an unusual double membraneand highly negative potential may challenge the efficient delivery of mitocans. To overcome such challenges, the nanotechnology-based drug delivery system is considered to be efficient and highly explored. Our study aims to explore the potential of selected nanocarriers i.e. carbon nanotubes (CNT) and fullerenes (C60 and C70) to selectively deliver mitocans to the enzyme hexokinase-2 (HK2). Our in-silico analysis suggests that CNT can be used as potential nanocarriers for the selective delivery of the mitocans to HK2.

Carbon-based nanomaterial intervention and efficient removal of various contaminants from effluents – A review

Water treatment is a worldwide issue. This review aims to present current problems and future challenges in water treatments with the existing methodologies. Carbon nanotube production, characterization, and prospective uses have been the subject of considerable and rigorous research around the world. They have a large number of technical uses because of their distinct physical characteristics. Various catalyst materials are used to make carbon nanotubes. This review's primary focus is on integrated and single-treatment technologies for all kinds of drinking water resources, including ground and surface water. Inorganic non-metallic matter, heavy metals, natural organic matter, endocrine-disrupting chemicals, disinfection by-products and microbiological pollutants are among the contaminants that these treatment systems can remediate in polluted drinking water resources. Significant advances in the antibacterial and adsorption capabilities of carbon-based nanomaterials have opened up new options for excluding organic/inorganic and biological contaminants from drinking water in recent years. The advancements in multifunctional nanocomposites synthesis pave the possibility for their use in enhanced wastewater purification system design. The adsorptive and antibacterial characteristics of six main kinds of carbon nanomaterials are single-walled carbon nanotubes, multi-walled carbon nanotubes, graphene, graphene oxide, fullerene and single-walled carbon nanohorns. This review potentially addressed the essential metallic and polymeric nanocomposites, are described and compared. Barriers to use these nanoparticles in long-term water treatment are also discussed.

A Hybrid Nanocomposite Based on the T-Shaped Carbon Nanotubes and Fullerenes as a Prospect Material for Triple-Value Memory Cells.

Relying on empirical and quantum chemical methods, a hybrid nanocomposite based on the T-shaped carbon nanotube (CNT) junction and internal fullerene C60 is proposed as a potential triple-value memory cell. The T-shaped CNT provides three potential wells where the internal fullerene can be located. The fullerene can move between these wells under the periodic external electric field, whose strength and frequency parameters are identified. The process of the fullerene's motion control corresponds to the memory cell write operation. The read operation can be realized by determining the fullerene's position inside the CNT by estimation of the charge transfer between a fullerene and the CNT's walls. Calculations took into account such external factors as temperature and air environment.

Fullerene carbon nanostructures for the delivery of phenelzine derivatives as new drugs to inhibit monoamine oxidase enzyme: Molecular docking interactions and density functional theory calculations

In this study, a molecular docking technique was used to investigate the interactions of phenelzine (P) and its derivatives, namely N-Nitrosobenzylmethylamine (P4) and [2-(4-Isopropylphenyl) ethyl] hydrazine (P9), with the enzyme monoamine oxidase. The development of new MAO-A and MAO-B inhibitors was the main goal of this research. Moreover, carbon nanostructures, including C30, C60, and C90 fullerenes, were studied as carriers of P, P4, and P9 using density functional theory (DFT). The larger adsorption energy (Eads) in the water phase for adsorption of P onto the nanostructures than in the gas phase suggested that the water phase leads to a stronger interaction of P with the nanostructures. In contrast, P4 and P9 interacted more strongly with the nanostructures in the gas phase. The values of Eads also showed weak interaction of P, P4, and P9 with the nanostructure, confirming that they can be used as carriers for the molecules. The analysis of density of states (DOS) indicated that C60 can be used as a strong sensor for P. Furthermore, the quantum theory of atoms in molecules confirmed that the interactions are via Van der Waals, which are considered weak interactions. In conclusion, the fullerene nanostructures presented in this study can be used as carriers of phenelzine derivatives as new drugs to inhibit monoamine oxidase.

Current state-of-the-art of carbonaceous nanofiller coated carbon fiber in polymeric nanocomposites

The carbon fibers have been employed to form the high performance composites. The use and compatibility of carbon fibers have gained research interest. Incidentally, the nanocarbon nanostructures such as carbon nanotube, graphene, nanodiamond, and fullerene have been deposited on the carbon fiber surface to increase the interfacial linking with the matrices. Various physical and chemical methods have been used to deposit the nanocarbon on the carbon fiber surface including the chemical vapor deposition, electrospraying, electrophoretic deposition, etc. This review basically highpoints the prospective of the formation of the polymer/fiber composite and polymer/fiber/nanofiller nanocomposite for the advanced structures. The effect of the addition of the nanocarbon on the properties of the polymer/carbon fiber materials have been observed. Specifically, the morphology, strength, toughness, storage modulus, thermal stability, and other physical characteristics have been observed. Moreover, the interfacial adhesion and resulting interfacial features of the polymer/fiber/nanofiller nanocomposite have also been perceived.

Advances in the Applications of Nanomaterials for Wastewater Treatment

Freshwater is in limited supply, and the growing population further contributes to its scarcity. The effective treatment of wastewater is essential now more than ever, because waterborne infections significantly contribute to global deaths, and millions of people are deprived of safe drinking water. Current wastewater treatment technologies include preliminary, primary, secondary, and tertiary treatments, which are effective in removing several contaminants; however, contaminants in the nanoscale range are often difficult to eliminate using these steps. Some of these include organic and inorganic pollutants, pharmaceuticals, pathogens and contaminants of emerging concern. The use of nanomaterials is a promising solution to this problem. Nanoparticles have unique properties allowing them to efficiently remove residual contaminants while being cost-effective and environmentally friendly. In this review, the need for novel developments in nanotechnology for wastewater treatment is discussed, as well as key nanomaterials and their corresponding target contaminants, which they are effective against. The nanomaterials of focus in this review are carbon nanotubes, graphene-based nanosheets, fullerenes, silver nanoparticles, copper nanoparticles and iron nanoparticles. Finally, the challenges and prospects of nanoparticle utilisation in the context of wastewater treatment are presented.

Clusters of Fullerenes: Structures and Dynamics.

The geometric structures and reaction dynamics of clusters of carbon fullerene molecules are reviewed. The topics on structure cover the elementary building blocks, the interatomic and intermolecular potentials, and the geometric structures of the aggregates. The dynamics part describes the time development after excitation with laser light, in bimolecular collisions, and in collisions with high energy atomic ions. These reactions produce singly or multiply charged clusters, fragmented or intact fullerene monomers, and fusion products. The duration of the interaction time and the transferred energy are found to play determining roles for the nature of the products. Short interaction times and high energy excitation favor intramolecular reactions on excited potential energy surfaces, producing fused products, often with a strong release of the combined excess energy and heat of fusion. Clusters excited at low energies tend to disintegrate into intact fullerene molecules.

Current Overview on the Role of Nanoparticles in Water Desalination Technology

Background: Nanoparticles based thin-film has remarkable challenges in water desalination. Carbon allotropes (carbon nanotubes, graphene sheets, and fullerene), metal and metal oxide nanoparticulates (titanium dioxide, silver, copper oxide, alumina, zinc oxide, and metal-organic framework, silica, halloysite, zeolite, aquaporin and cellulose) are the out breaking materials for water desalination. Advanced materials in membrane forms are impacting the desalination processes in terms of reverse osmosis, forward osmosis, pervaporation, membrane distillation, and electrodialysis. Objective: The main objective of this review is to provide a comprehensive overview of the various methods of water desalination and the role of nanoparticles in this regard. Methods: We discussed the overall studies describing the process of desalination, viz. distillation, osmosis, freeze-thaw desalination, electrodialysis, membranes, various types of nanoparticles used in desalination, current techniques in desalination, membrane technology with Algae treatment, environmental issues in desalination, future scopes and trials. Conclusion: Various polymeric membranes with graphene/carbon derivatives and nano-particulate integrated membranes are gaining enormous attention in the field of membrane technology for the desalination process. Nanoparticulate impregnated, and natural algae conjugated polymeric membranes may provide a plethora of possibilities for membrane filtration technology in the near future.

Zagreb indices of link graphs related to carbon nanotube and fullerene

A Link graph H is obtained by connecting p number of Fullerenes to a single wall carbon nanotube using covalent bonds. R-graph, R-Vertex, R-Edge, R- Vertex neighborhood, R-Edge neighborhood of these Link graphs are obtained in this paper. First Zagreb Index and Second Zagreb index of these graphs are derived using M-Polynomial method.

A New Type Of Graphene Based Bone Scaffold In Tissue Engineering

Biyoimplant mühendisliği hasarlı dokuları ve organları onarmak, tamir etmek ya da korumayı amaçlamaktadır. Her yıl çok sayıda insan kaza ya da çeşitli hastalıklardan kaynaklı olan iskelet kusurlarındaki kemikleri onarmak/tamir etmek istemektedir. Bu nedenle üzerinde yeni kemik büyümesinin oluşabileceği iskeleleri oluşturabilmek çok farklı biyomalzeme türleri kullanılmıştır. Hidroksiapatit, apatit wollostonit ve karbon temelli biyomalzemeler bu amaçla kullanılmıştır. Karbon nanomateryal baskılı iskeleler ticari olarak ulaşılabilirlik, mekanik stabilite, biyolojik uyumluluk özelliklerinden dolayı kullanımı oldukça yaygın biyomalzeme grubudur. Karbon esaslı iskeleler osteojenikfarklılaşma, kemik doku yenilenmesi, etkili hücre çoğalması özelliği göstermektedir. Kemik iskeleleri doku mühendisliğinde kemik büyümesi, yenilenmesi, tamiri, kemik dokusu hücrelerinde farklılaşma, adhezyon için temel yapı taşı olarak görülmektedir. Kemik iskeleleri gibi hareket eden çok sayıda karbon nanomateryali mevcuttur. Karbon nanotüpler, grafen ve fulleren kemik iskelesi olarak kullanılabilen karbon esaslı malzemelerin başlıcalarıdır. Grafen ve türevleri dikkat çekici fiziksel, kimyasal ve biyolojik özelliklere sahip 2D karbon esaslı bir malzemedir. Grafen mükemmel elektriksel iletkenliği, biyouyumluluğu, yüzey alanı ve termal özellikleri yüzünden bilim dünyası tarafından ilgi görmektedir. Grafenin tabakaları yüksek mekanik dirence ve yüksek spesifik yüzey alanına sahiptir. Dahası grafenin kök hücre farklılaşmasını ve biyomateryal özelliklerini geliştirdiği literatürde raporlanmıştır. Gerçekleştirilen çalışmada grafenin biyouyumluluk özellikleri, grafenin biyomateryal olarak kullanımına dair son çalışmalar ve karbon temelli maddelerin klinik olarak uygulanabilmesi amacıyla biyogüvenlik tartışmaları incelenmiştir.

Preparation and Physicochemical Properties of Nanomaterial/Fullerene Composites

Bismuthene, an exfoliated two-dimensional material obtained from bulk bismuth, has drawn significant attention because of its unique electronic properties. Few-layered bismuthene (FLBi) with an average thickness of 1.0 nm was synthesized by the ball mill and sonication method. The FLBi film was fabricated onto a semiconducting SnO2 electrode by electrophoretic deposition (SnO2/FLBi). In the flash-photolysis time-resolved microwave conductivity measurement, the SnO2/FLBi film showed a rise of conductivity upon photoexcitation, supporting the occurrence of the electron injection from the photoexcited FLBi to the conduction band of SnO2. The SnO2/FLBi on a transparent fluorine-doped tin oxide (FTO) electrode was used for photoelectrochemical devices. Photocurrents produced by the FTO/SnO2/FLBi electrode were larger than those produced by the FTO/SnO2 and FTO/FLBi electrodes because of the efficient electron injection. Moreover, FLBi was noncovalently functionalized with fullerene C60 in a mixed solvent of toluene and acetonitrile. Upon photoexcitation, the composite of FLBi and C60 exclusively led to the occurrence of photoinduced energy transfer from C60 to FLBi without generating the charge-separated state. These results give fundamental insights into the feasibility toward the construction of FLBi-based optoelectronic devices.Supramolecular composites consisting of fullerene C60 and carbon nanodiamond (ND) were prepared through spontaneous complexation of C60 aggregates onto the surface of ND aggregates in N-methylpyrrolidone. The resultant C60-ND composite was fabricated onto a nanostructured SnO2 electrode by an electrophoretic deposition method. Formation of the C60-ND composite was supported by dynamic light scattering and field-emission scanning electron microscopy. The C60-ND composite on the SnO2 electrode revealed high incident photon-to-current efficiencies in the visible region in comparison with the single component system of C60 or ND. The enhanced photocurrent generation of the C60-ND composite may originate from the photoinduced charge separation at the interface between C60 and ND. These results will give important insight into the design of all-nanocarbon optoelectronic devices.[1] T. Umeyama, Y. Okawada, T. Ohara, and H. Imahori, Chem. Asian J., 14, 4042-4047 (2019).[2] T. Umeyama, H. Xu, T. Ohara, Y. Tsutsui, S. Seki, H. Imahori, J. Phys. Chem. C, 125, 13954-13962 (2021).

Safety issues of nanomaterials for dermal pharmaceutical products.

Nanomaterials (NMs) have favorable application in the medicine area, specifically in regard to the carry of pharmaceutical ingredients to provide targeted drug delivery systems. The skin is an excellent route for the delivery of pharmaceutical nano-transporters for skin-related applications. The physicochemical properties of nanomaterials such as size, hydrophobicity, loading capacity, charge and weight are vital for a skin penetrating system. Many nanocarriers such as polymeric nanoparticles, inorganic nanomaterials and, lipid nanostructures have been utilized for dermal delivery of active ingredients and others such as carbon nanotubes and fullerenes require more examination for future application in the skin-related area. Some negative side effects and nano-cytotoxicity of nanomaterials require special attention while investigating different nanomaterials for medicinal applications. Then, in the current review, we had a view on the safety issues of nanomaterials for dermal pharmaceutical products.

In English

Carbon nanostructures (CNS) were synthesized by the electric arc plasma chemical method during the evaporation of a high-quality graphite electrode of the brand “fine-grained dense graphite” (FGDG-7) filled with a catalyst (Pt), which was evaporated in a helium environment. In the synthesis process, the following were synthesized: multi-walled (MWCNT) and single-walled carbon nanotubes (SWCNT), fullerenes, graphene packets and nanocomposites. A deposit in the form of growth on the cathode electrode was also synthesized. All synthesis products were analyzed at the micro- and nanolevels, which made it possible to analyze the influence of platinum vapors on the formation of carbon nanomaterials (CNM). The non-uniform distribution of catalyst atoms (platinum) in the products of electrochemical synthesis in a gas medium using FGDG-7 graphite was investigated. During the analysis, it was found that platinum is in the state of the face-centered cubic (FCC) lattice and is distributed in the synthesis products as follows: the core of the deposit is less than < 0.001 %, the shell of the deposit is less than < 1 %, the wall soot is more than > 1 %. The morphology and composition of the platinum deposit, which has a hexagonal graphite structure with an admixture of a rhombohedral graphite phase, was studied. In the studies, differential thermal analysis in air (TG, DTG, DTA) was carried out, which made it possible to identify the composition of the synthesis products. It is an established fact that the parts of the deposit with platinum are more heat-resistant compared to the deposit components that do not contain Pt. The resulting carbon nanotubes (CNTs) in diameter (5–25 nm) and length (1.5–2 μm) do not differ from those obtained without the participation of platinum, except for some anomalies. When studying the suitability of platinum-containing carbon nanostructures for 3D printing of CJP (ceramic printing) technology, it was found that for the use of platinum-containing carbon black, it is necessary to carry out a preliminary short-term treatment, namely, grinding in special “ball mills” or rubbing through a fine sieve with minimal effort to create uniformity product. Previous studies have shown that such platinum-containing carbon nanostructures can already be used in 3D printing of CJP technology, or to create new composites for 3D printing technologies of FDM, SLA.

The fullerene graphs with a perfect star packing

Fullerene graph G is a connected plane cubic graph with only pentagonal and hexagonal faces, which is the molecular graph of carbon fullerene. A spanning subgraph of G is called a perfect star packing in G if its each component is isomorphic to K1, 3. For an independent set D ⊆ V(G), if each vertex in V(G) \ D has exactly one neighbor in D, then D is called an efficient dominating set of G. In this paper we show that the number of vertices of a fullerene graph admitting a perfect star packing must be divisible by 8. This answers an open problem asked by Došlić et al. and also shows that a fullerene graph with an efficient dominating set has 8n vertices. In addition, we find some counterexamples for the necessity of Theorem 14 of paper of Došlić et al. from 2020 and list some subgraphs that preclude the existence of a perfect star packing of type P0.

Exploring the energetics and structural properties of a new carbon allotrope family named α-fullerynes

Carbon fullerenes are well-known spherical clusters of carbon atoms. Due to their extraordinary chemical, physical and structural properties, these nanomaterials have already proved their significant potential for use in, almost, every technological field. Based on the success behind these hollow carbon molecules, a comprehensive theoretical attempt is made here to provide the fundamentals and describe the basic structural characteristics of a new family of fullerene-like nanomaterials called hereafter α-fullerynes. The proposed nanomaterials are derived from inserting acetylenic (CCCC) and butatrienic (CCCC) bonds in place of single and double carbon bonds in standard fullerenes. To ensure the chemical stability of the arisen molecules, i.e. α-fullerynes, an appropriate combination of bond order is utilized. Each three-bond structure may be either of the acetylenic (CCCC) or of the butatrienic (CCCC) type. To explore, develop, and optimize the geometry of these new spherical carbon molecules, the reactive force-field (ReaxFF) interatomic potential is adopted. In order to investigate the chemical stability of the developed α-fullerynes, their potential energies are computed and compared with those of the original generator fullerenes, while their structural and geometrical characteristics are discussed in detail. Then, molecular dynamics (MD) simulations are performed to study the structural properties, density, and stiffness constants of periodic crystal structures made by these nanomaterials called henceforward α-fullerytes.

Recent advances in the energy harvesting device technology using hetero-atom doped carbon nanotubes

Carbon nanotubes, graphene, and fullerene are forms of carbon finding widespread applications in numerous fields such as energy storage devices such as batteries and fuel cells, cosmetics, nano-electronics, nano-pharmaceuticals, nano-biotechnology, military devices and equipment, construction, coatings, cutting tools, catalysis and many more. The huge technological advancements, globalization, and never seen industrialization can gain more momentum only with the ready availability of sufficient energy resources and their harvesting. Fossil fuels remained one of the most important primary fuels all over the world and now the shift is towards more use of non-renewable energy resources. At the end of the last century, Svante Arrenius firstly proposed the interconnection between the increased concentration of gases such as CO2 in the atmosphere and the rise in the average temperature through global warming on our planet. This effect gets pronounced effects in various other natural cycles too as observed through various natural events in the 21st century. There are several global warming gases, but the principal emission associated with this change is carbon dioxide. Due to such environmental issues, emphasis is on the use of non-conventional energy sources such as solar, wind, geothermal, ocean, etc. Besides such sources, extensive work is going on the use of fuel cells and modern battery technology using carbon nanotubes (SWCNTs and MWCNTs). Presently, various advanced batteries and fuel cells are being developed using CNTs on an Industrial scale. In the last decade, efforts are taken to control the optical and electronic properties of CNTs incorporating hetero-atom (N, P, Si, S, Al, Ni, etc.) as a dopant for desired structural functionalization. The recent advancements in the field of energy harvesting devices (batteries or fuel cells) using hetero-atom-doped CNTs have been discussed here.

Carbene Addition Isomers of C70 formed in the Flame of Low-Pressure Combustion.

In the flames during low-pressure combustion, not only a rich variety of fullerenes but also many reactive intermediates can be produced (e.g., carbene, CH2) that are short-lived and cannot be stabilized directly under normal circumstances. These intermediates can be captured by fullerene carbon cages for stabilization. In this paper, three C71H2 isomers were synthesized in situ in low-pressure benzene-acetylene-oxygen diffusion flame combustion. The results, which were unambiguously characterized by single-crystal X-ray diffraction, show that the three isomers are carbene addition products of D5h-C70 on different sites. The relative energies and stability of different C71H2 isomers are revealed by Ultraviolet-Visible (UV-Vis) absorption spectroscopy, in combination with theoretical calculations, in this work. Both the in situ capture and theoretical study of these C71H2 isomers in low-pressure combustion will provide more information regarding carbene additions to other fullerenes or other carbon clusters at high temperatures.

Computational study on the interactions of functionalized C24NC (NC=C, –OH, –NH2, –COOH, and B) with chloroethylphenylbutanoic acid

Computational chemistry approach based on density functional theory (DFT) was utilized to investigate the interaction, adsorption behaviour, electronic and structural properties of nanostructured complexes formed by 4-(4-(bis(2-chloroethyl)amino)phenyl)butanoic acid (CPB) and all carbon fullerene nanocage, (C24NC), boron functionalized carbon nanocage (C24NC@B@CPB), carboxylate functionalized (C24NC@COOH@CPB), amino functionalized (C24NC@NH2@CPB), and hydroxy functionalized (C24NC@OH@CPB) nanostructured materials. To understand effectively the interaction of the drug and surface, topological analysis was conducted via the atoms in molecule (quantum theory of atoms in molecules) and noncovalent interaction approach. Electronic properties such as quantum chemical descriptors, natural bond orbital and nonlinear optics are equally considered and reported. All computations were achieved at the B3LYP-D3 and ωB97XD levels of theory with the 6-311++G(d, p) basis set. The results indicate that the adsorption energy of CPB on C24NC and its functionalized derivatives are in the range of −0.52 to 2.89 eV indicating that physisorption and chemisorption mechanism are prevalent mechanisms of adsorption. C23B@CPB, C24OH@CPB, and C24NH2@CPB were observed to possess the best characteristics to be considered as transport vehicles for CPB due to their strong adsorption nature (chemisorption) and solubility in solution.