Narrow Results

The carbon is an important element which belongs to group 14 of the periodic table and shows multiple applications in our daily life as well as at the industrial scale. It is a promising element which represents the liquid–liquid phase transition (LLPT) phenomena. Additionally, it shows interesting anomalous behavior with some usual thermodynamic properties such as heat capacity ($C_p$) near about the liquid–liquid phase coexistence temperature ($T_c$). Hence, it is quite challenging and difficult to simulate carbon at or near the liquid–liquid phase coexistence temperature. This anomalous behavior also creates complications in computing the precise and equilibrated thermodynamic properties close to $T_c$. Therefore, we have studied the thermodynamic behavior of liquid and solid (diamond) states of carbon at liquid–liquid phase coexistence temperature ($T_c$) while transforming from liquid to solid state and achieving the equilibrated liquid and solid states individually. Additionally, we have also performed a similar analysis on melting temperature ($T_m$) to compare the system trends and its thermodynamics behavior in liquid and solid states, respectively. Furthermore, all the predicted thermodynamic results are quite consistent and able to show the equilibrium changes at the liquid–liquid phase coexistence temperature ($T_c$) and melting temperature ($T_m$), respectively.

The structural and mechanical properties of 9R diamond and 12R diamond have been investigated by using the first-principles calculations. The elastic constants, bulk modulus and Young’s modulus at various pressures have been investigated. The elastic anisotropy under pressure from 0 to 100 GPa has been studied. From our calculations, we found that 9R diamond and 12R diamond have similar high elastic constants and elastic modulus as lonsdaleite and diamond. The detailed ideal strength calculations show that 9R diamond and 12R diamond are intrinsic superhard materials.

The structural, mechanical and electronic properties of recently reported superhard material C${}_{28}$ are studied by first-principles calculations. The unit cell of C${}_{28}$ is composed of 28 carbon atoms and all sp³ hybridized bonds. From 0 GPa to 100 GPa, C${}_{28}$ satisfies the mechanical stability criteria and the phonon spectrum of C${}_{28}$ has no imaginary frequency, which means that C${}_{28}$ is mechanically and dynamically stable. The results of hardness calculated show that C${}_{28}$ is a potential superhard material with the Vickers hardness of 84.0 GPa. By analyzing the elastic anisotropy, we found that elastic anisotropy of C${}_{28}$ increases with pressure. The calculations of band structure demonstrates that C${}_{28}$ is an indirect bandgap semiconductor with the gap of 4.406 eV. These analyses demonstrate C${}_{28}$ is a superhard semiconductor material.

To explore the practicability of C₆₀ synthesis under extreme conditions (high pressure and high temperature), trinitrotoluene (TNT), trinitramine (RDX) and graphite mixtures of different proportions were detonated in a vacuum container, and the detonation products were collected for detecting. The results of mass spectroscopy, high performance liquid chromatography showed significant signals of C₆₀, which proved that C₆₀ could be synthesized by detonating the mixture of TNT and graphite (in 6:4 and 7:3 mass ratio, respectively), the detonation pressure and temperature were calculated around 13 GPa and 2000 K, respectively. Both experiment results and theoretical analysis showed the importance of detonation pressure and cooling temperature in detonation synthesis of C₆₀.

In this paper, we report strong variations in the Raman spectra of different carbon allotropes samples, for temperatures ranging from 83 K to 1123 K. The temperature dependence of D and G peak frequencies in the Raman spectrum of diamond, graphite, graphene, and carbon nanoparticles (CNPs) with 20 nm dot-size were investigated. These effects caused by temperature can be estimated from the changes in position and in linewidth of peak full width at half maximum (FWHM) G in the Raman spectrum of each sample. The broadening for each allotrope under the same conditions of temperature were: diamond ~ 4 cm^-1, graphite ~ 50 cm^-1, graphene ~ 5 cm^-1 and nanoparticles ~ 7 cm^-1. We also used scanning electron microscopy (SEM) to study the morphology and determine the size of the samples. According to the experimental data, the residual structural disorder and stress present in the samples are enhanced with temperature and responds for the observed changes in the Raman spectra. We present a systematic study of the temperature-dependent Raman spectra of four carbon allotropes.

A systematic investigation of structural, mechanical, elastic anisotropy and electronic properties of a recently reported novel superhard material orthorhombic $C_{20}$ ($o$-$C_{20}$) under pressure is performed utilizing the density functional theory in this work. The crystal structure parameters are obtained at zero as well as at high pressure. Pressure induced elastic constants $C_{ij}$, polycrystalline aggregate elastic modulus $(B,G,E)$, $B/G$ ratio, and Debye temperature changes for $o$-$C_{20}$ have been determined. The crystal elastic anisotropies of the ultra-incompressible $o$-$C_{20}$ are investigated in the pressure range of 0–100 GPa. The Lyakhov–Oganov model is applied to predict the hardness as functions of pressure. The calculated results reveal that $o$-$C_{20}$ possesses high elastic anisotropy under zero pressure and high pressure, and the hardness of $o$-$C_{20}$ decreases with pressure, while the Debye temperature behaves with the opposite trend. The results of electronic structure indicate that $o$-$C_{20}$ exhibits insulator characteristics, and the band gap increases with pressure. This work is expected to provide a useful guide for the future synthesis and application of $o$-$C_{20}$.

We report on a number of new effects of self-organization at nanoscale, leading to creation of new functional nanomaterials, including carbon and carbon–metal nanotoroids and nanodiscs and self-assembling of magnetic nanoparticles into helices and chains. We also extensively used a new approach of biopattern nanoengineering to create DNA-based complexes with metal or CdSe/ZnS core-shell nanorods (22 × 4.5 nm) which possess strong linearly polarized photoluminescence due to unidirectional orientation of nanorods along DNA filaments. Optical, electrical, and topological (geometrical) properties of such complexes were investigated. This work is a result of a coherent effort (since 1980s) of a consortium of Russian research groups in Nano-technology (INTC: Interdisciplinary Nanotechnology Consortium) aimed at creating molecular electronic devices based on individual and collective properties of specially designed and fabricated nanoclusters.

Linear forms of carbon are important in a wide variety of applications, ranging from highly conducting interconnects to field emission materials. By methods of field ion microscopy (FIM) and mass-spectrometry, it was revealed that linear carbon chains were present at the surface of carbon fibers after high-voltage treatment. The carbon chains attached to the specimen tips were produced in situ in a field ion microscope by unraveling of nanofibers using low-temperature evaporation in electric fields of the order of 10¹¹ Vm^-1. The unraveling of graphite is possible due to the ultimate strength of the monoatomic carbon chain. The maximum force before failure of carbon chains at 0 K is 7.916 nN at a strain of 0.19 and the ideal tensile strength is equal to 252.1 GPa. Molecular dynamics simulations and high resolution FIM experiments are performed to assess the evaporation of atomic chains under high-field conditions. One can conclude that ions are field evaporated from a graphite surface initially in linear cluster forms, which decompose mostly into smaller atomic clusters and individual ions because of the ultrahigh-temperature excitation during unraveling.

A simple inexpensive wet chemical technique at room temperature to prepare hybrid structure of multiwalled carbon nanotubes (MWCNT) and cadmium sulfide (CdS) nanoparticles has been reported in this paper. Cadmium sulfide nanocrystals of average size 5 nm have been synthesized and attached with the surfaces of MWCNTs. The hybrid material is characterized by high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and Raman spectroscopy. Interesting optical properties of the composite are revealed through UV–visible and photoluminescence (PL) spectroscopy. Significant blue-green PL emission covering a region from 450–600 nm wavelength has been observed when excited by UV radiation of 220–240 nm wavelength. Sharp emission peak has been obtained and this may find wide applications in optical sensors and optoelectronic devices.

In this work, the inorganic/organic a Carbon-Silica (C-S) nanocomposites in additional amorphous carbon matrix was successfully obtained through the sol–gel method, the two components are mixed in an effort to blend the best properties of both. The acquired C-S nanocomposites were characterized by X-ray diffraction (XRD). It was observed by Transmission Electronic Microscopy that nanoparticles with sizes from 14nm to 20nm. After heat treatment, we explore the electrical properties of the obtained C-S material. The current–voltage ($I$–$V$) and alternating current (ac) techniques in the temperature range (80–300K) was examined.

This paper highlights the reinforcement of two different fibers in the manufacturing of hybrid laminate composites. The feasibility of glass and carbon fiber-based hybrid composites is proposed for various high performances due to their versatile mechanical properties. However, anisotropic and non-homogeneity nature creates several machining challenges for manufacturers. It can be regulated through the selection of proper cutting conditions during the machining test. The effect of process constraints like spindle speed (rpm), feed rate (mm/min), and stacking sequences ($C)$ was evaluated for the optimum value of thrust force and Torque during the drilling test. The cost-effective method of hand layup has been used to fabricate the composites. Four different hybrid composites were developed using different layers of carbon fiber and glass fiber layers. The outcomes of variables on machining performances were analyzed by variation of feed rate and speed to acquire the precise holes in the different configurations. The application potential of the proposed composites is evaluated through the machining (drilling) efficiency. The optimal condition for the drilling procedure was investigated using the multiobjective optimization-Grey relation analysis (MOO-GRA) approach. The findings of the confirmatory test show the feasibility of the MOO-GRA module in a machining environment for online and offline quality control.

This paper reports the synthesis and characterization of ternary nanocomposites consisting of polyaniline (PANI), multiwalled carbon nanotubes (MWCNTs) and manganese dioxide (MnO₂) at different MWCNT–MnO₂ loadings. The composite electrical percolation threshold is investigated as well. The in situ nanocomposites were characterized by UV-visible, Fourier transform and Raman spectroscopy, thermogravimetric analysis, field emission scanning electron microscopy, and electrical conductivity measurements. The conductivity of the nanocomposite reached up to 78.79 Scm^-1 with 50 wt.% addition of MWCNT–MnO₂ with good conduction stability and reversibility. The percolation threshold of this nanocomposite was achieved at 0.5 wt.%. Using the scaling law of the percolation theory, it was found that the theoretical conductivity of the nanocomposite exhibited an exponential factor, (t) of 1.38 instead of the universal t value of 2.

In this study, silver orthophosphate@carbon layer (Ag₃PO₄@C) core/shell heterostructure photocatalyst was prepared for the first time. The results showed that a uniform carbon layer was formed around the Ag₃PO₄. By adjusting the hydrothermal fabrication parameters, the thickness of carbon layer could be easily controlled. Furthermore, the Ag₃PO₄@C had remarkable light absorption in the visible region. Photocatalytic tests displayed that the Ag₃PO₄@C heterostructures possessed a much higher degradation rate of phenol than pure Ag₃PO₄ under visible light. The enhanced photocatalytic activity could be attributed to high separation efficiency of photogenerated electrons and holes based on the synergistic effect between carbon as a sensitizer and Ag₃PO₄. Recycle tests showed that the Ag₃PO₄@C core/shell heterostructures maintained high stability over several cycles. The good stability could be attributed to the protection of insoluble carbon layer on the surfaces of Ag₃PO₄ crystals in aqueous solution.

The increasing energy crisis promotes the study on novel electrode materials with high performance for supercapacitive storage and energy conversion. Transition metal phosphates have been reported as a potential candidate due to the unique coordination and corresponding electronic structure. Herein, we adopted a facile method for preparing NaCoPO₄@C derived from a metal organic framework (MOF) as a bifunctional electrode. ZIF-67 was synthesized before a refluxing process with Na₂HPO₄ to form a precursor, which is transformed into the final product via calcination in different atmospheres. Specifically, the resultant NaCoPO₄@C exhibits a high specific capacitance of 1178.7Fg${}^{-1}$ at a current density of 1Ag${}^{-1}$ for a supercapacitor. An asymmetric supercapacitor (ASC) assembled with active carbon displays a high capacitance of 163.7Fg${}^{-1}$ at 1Ag${}^{-1}$. In addition, as an oxygen evolution reaction (OER) catalyst, the NaCoPO₄@C electrode requires only 299mV to drive a current density of 10mAcm${}^{-2}$. These results suggest that the rational design of MOF-derived NaCoPO₄@C provides a variety of practical applications in electrochemical energy conversion and storage.

Multi-element doped porous carbon materials are considered as one of the most promising electrode materials for supercapacitors due to their large specific surface area, abundant mesoporous structure, heteroatom doping and good conductivity. Herein, we propose a very simple and effective strategy to prepare nitrogen, sulfur co-doped hierarchical porous carbons (N-S-HPC) by one-step pyrolysis strategy. The effect of sole dopants as a precursor was a major factor in the transformation process. The optimized N-S-HPC-2 possesses a typical hierarchically porous framework (micropores, mesopores and macropores) with a large specific surface area (1284.87m² g${}^{-1})$ and N (4.63 atomic %), S (0.53 atomic %) doping. As a result, the N-S-HPC-2 exhibits excellent charge storage capacity with a high gravimetric capacitance of 360F g${}^{-1}$ (1 A g${}^{-1})$ in three-electrode systems and 178F g${}^{-1}$ in two-electrode system and long-term cycling life with 87% retention after 10,000 cycles in KOH electrolyte.

Nanofluids are promising in solar harvesting and solar thermal utilization. Ethylene glycol (EG) nanofluids have the advantages of high boiling point and low volatility, and therefore are highly desired in some circumstances. In this study, the solar harvesting and solar thermal conversion properties of EG were significantly enhanced by carbon chain nanostructures (CCNSs). The prepared CCNSs/EG nanofluids showed greater optical absorption compared to EG in the wavelength range from 250nm to 1400nm. The solar weighted absorption factor (Am) of the CCNSs/EG nanofluids was 95.9% at the mass fraction of 0.05 wt.%. The enhancement was 649.2% compared to that of EG. The photothermal conversion efficiency was determined to be 97.7% and the enhancement of 83.0% was achieved. An enhancement of 1.2% in thermal conductivity was also been observed. These enhancements can be ascribed to the special architectures of the CCNSs that provide fast transfer path for the generated heat.

Carbon quantum dots (C QDs) were synthesized using lemon juices as a precursor by hydrothermal method. The impact of C QDs on the biomass, density of spores, and morphology of Aspergillus oryzae (A. oryzae) was studied for the first time. The results revealed that C QDs had a graphite structure, and their average size was about 4.25nm. As a carbon source, C QDs were more beneficial to A. oryzae growth than glucose. It has been observed that C QDs worked as an activator to improve the yield of A. oryzae, and the biomass and density of spores of A. oryzae cultured with 15mg C QDs were about 1.46 and 2.00 times higher than that in control medium (without C QDs). Our work can give a new idea for improving the yield of A. oryzae or microorganisms and satisfy industrial requirements.

The water-soluble fluorescent carbon nanomaterials with low toxicity and high biocompatibility are considered as promising materials for biomedical and sensor applications. Here, we report that a nanosensor system has been developed to simultaneously detect two valence states of iron (Fe²⁺ and/or Fe³⁺) in aqueous solution based on fluorescent carbon nanoparticles (FCNs). The nanosensor has high selectivity and sensitivity with a limit of detection (LOD) of 5 μM, which is equivalent to 0.3 mg/L (5.36 μM) of iron in drinking water by United States Environment Protection Agency (US-EPA). Furthermore, a distinguishable color change of solution, from pale yellow to red-brown, can be observed as iron concentration reaching 40 μM, which provides way for fast, visible detection of irons.

Joint arthroplasty, specifically total knee arthroplasty (TKA) and total hip arthroplasty (THA), are two of the highest value surgical procedures. Over the last several decades, the materials utilized in these surgeries have improved and increased device longevity. However, with an increased incidence of TKA and THA surgeries in younger patients, it is crucial to make these materials more durable. The addition of nanoparticles is one technology that is being explored for this purpose. This review focuses on the addition of nanoparticles to the various parts of arthroplasty surgery comprising of the metallic, ceramic, or polyethylene components along with the bone cement used for fixation. Carbon additives proved to be the most widely studied, and could potentially reduce stress shielding, improve wear, and enhance the biocompatibility of arthroplasty implants.

Carbon is one of the elements most abundant in nature. It is essential for living organisms, and as an element occurs with several morphologies. Nowadays, carbon is encountered widely in our daily lives in its various forms and compounds, such as graphite, diamond, hydrocarbons, fibers, soot, oil, complex molecules, etc. However, in the last decade, carbon science and technology has enlarged its scope following the discovery of fullerenes (carbon nanocages) and the identification of carbon nanotubes (rolled graphene sheets). These novel nanostructures possess physico-chemical properties different to those of bulk graphite and diamond. It is expected that numerous technological applications will arise using such fascinating structures. This account summarizes the most relevant achievements regarding the production, properties and applications of nanoscale carbon structures. It is believed that nanocarbons will be crucial for the development of emerging technologies in the following years.