Search Results (390)

Exfoliation of layered materials is an important technique for preparing atomic-layer materials. To provide fundamental mechanistic insights for optimizing this process, we investigated the exfoliation process of nano graphite using molecular dynamics simulations with the ReaxFF force field. The impact of temperature, speed, and angle of removing the top layer has been examined to gain insight into obtaining thin, uniform layers. The bending rigidity of the ReaxFF graphite is temperature-dependent and affects the cleavage behavior. The impact of the Au overlayer, which has recently been utilized to obtain a large area, was also studied, and it was confirmed to be effective in improving repeatability. Full article

Nanozymes, as a new generation of artificial enzymes, have attracted increasing attention in the field of biomedicine due to their multiple enzymatic characteristics, multi-functionality, low cost, and high stability. Among them, carbon dot nanozymes (CDzymes) possess excellent enzymatic-like catalytic activity and biocompatibility and have been developed for various diagnostic and therapeutic studies of diseases. Here, we briefly review the representative research on CDzymes in recent years, including their synthesis, modification, and applications, especially in orthopedic diseases, including osteoarthritis, osteoporosis, osteomyelitis, intervertebral disc degenerative diseases, bone tumors, and bone injury repair and periodontitis. Additionally, we briefly discuss the potential future applications and opportunities and challenges of CDzymes. We hope this review can provide some reference opinions for CDzymes and offer insights for promoting their application strategies in the treatment of orthopedic disease. Full article

Theranostic agents enable the simultaneous diagnosis and treatment of diseases, and they are particularly useful in fluorescent imaging and cancer therapies. In this study, carbon quantum dots were synthesized via a microwave-assisted method using citric acid and bovine serum albumin (BSA) as precursors. The resulting CQDs exhibited spherical morphology, an average size of 4 nm, and an amorphous graphitic structure. FT-IR characterization revealed the presence of amide bonds and oxygenated functional groups. At the same time, optical analysis showed excitation at 320 nm and emission between 360 and 400 nm, with fluorescent stability maintained for one month. Furthermore, the CQDs demonstrated good thermal stability and photothermal efficiency, reaching temperatures above 41 °C within 15 min under NIR irradiation, with a mass loss of less than 1%. Their stability was evaluated in media with different pH levels, simulating physiological and tumor environments. While their behavior was affected under acidic conditions, their excellent photothermal conversion capacity and overall stability in triple-distilled water positioned them as promising candidates for theranostic applications in cancer, effectively combining diagnostic imaging and thermal therapy. Full article

Carbon dots (CDs), a class of carbon-based fluorescent nanomaterials, have garnered significant attention due to their tunable optical properties and functional versatility. In this study, we developed a hybrid material by grafting pH- and temperature-responsive copolymers onto CDs via reversible addition-fragmentation chain-transfer (RAFT) polymerization. Triamino-tetraphenylethylene (ATPE) and N-isopropylacrylamide (NIPAM) were copolymerized at varying ratios and covalently linked to CDs, forming a dual-responsive system. Structural characterization using FTIR, ¹H NMR, and TEM confirmed the successful grafting of the copolymers onto CDs. The hybrid material exhibited pH-dependent fluorescence changes in acidic aqueous solutions, with emission shifting from 450 nm (attributed to CDs) to 500 nm (aggregation-induced emission, AIE, from ATPE) above a critical pH threshold. Solid films of the hybrid material demonstrated reversible fluorescence quenching under HCl vapor and recovery/enhancement under NH₃ vapor, showing excellent fatigue resistance over multiple cycles. Temperature responsiveness was attributed to the thermosensitive poly(NIPAM) segments, with fluorescence intensity increasing above 35 °C due to polymer chain collapse and ATPE aggregation. This work provides a strategy for designing multifunctional hybrid materials with potential applications in recyclable optical pH/temperature sensors. Full article

In this paper, nanoscale graphene film electrodes were prepared using laser-induced technology, and an in situ electrochemical cell was constructed. The normalized peak areas at 2.82 ppm for the samples without the in situ electrochemical cell and with an in situ electrochemical cell are 4.02 and 4.41, respectively. Tests showed that this in situ electrochemical cell has minimal interference from the nuclear magnetic resonance (NMR) magnetic field, allowing for high-resolution in situ spectra. Using this in situ electrochemical cell and employing in situ electrochemistry combined with NMR techniques, we investigated the oxidation reaction of 0.01 M procarbazine (PCZ) in real-time. We elucidated the following oxidation mechanism for procarbazine: the oxidation of PCZ first generates azo-procarbazine, which then undergoes a double bond shift to hydrazo-procarbazine. hydrazo-procarbazine undergoes hydrolysis to yield benzaldehyde-procarbazine, and then finally oxidizes to produce N-isopropylterephthalic acid. This confirms that the combination of in situ electrochemistry and nuclear magnetic resonance technology provides chemists with an effective tool for in situ studying the reaction mechanisms of drug molecules. Full article

Graphene quantum dots (GQDs) have strong potential in optoelectronics, particularly in LEDs, photodetectors, solar cells, and nanophotonics. While challenges remain in efficiency and scalability, advances in functionalization and hybrid material integration could soon make them commercially viable for next-generation optoelectronic devices. In this work, we assess the stability of various epoxy positions and their impact on the electronic and optical properties of GQDs. The oxygen binding energies and the potential barrier heights at different positions of epoxy groups at the edges and in the core of the GQD were estimated. The effect of possible transformations of epoxy groups into other edge configurations on the structural and optical properties of GQDs was evaluated. The results demonstrate that the functionalization of the GQD surface and edges with an epoxy groups at varying binding sites can result in substantial modification of the electronic structure and absorption properties of the GQDs. The prospects of low temperature annealing for controlling optical properties of epoxidized GQDs were discussed. The present computational work offers atomistic insights that can facilitate the rational design of optoelectronic systems based on GQD materials. Full article

Due to soil nutrient depletion and rising food demand from an increasing global population, it is essential to find sustainable ways to boost crop yields, improve soil health, and address the environmental issues induced by agriculture. The most appropriate approach is to consider sustainable amendments, such as biochar and its derivatives, which are vital constituents of soil health due to their affordability, low reactivity, large surface area, and reduced carbon footprint. In this context, biochar and its derivatives in farming systems focus on improving soil structure, nutrient holding capacity, microbial activities, and the perpetuation of soil fertility. Despite its benefits, biochar, if it is used in high concentration, can sometimes become highly toxic, causing soil erosion due to reducing surface area, increasing pH levels, and altering soil properties. This review highlights the production methods and sources of feedstocks, emphasizing their important contribution to the soil’s physicochemical and biological properties. Furthermore, it critically evaluates the environmental applications and their impacts, providing data built upon the literature on contaminant removal from soil, economic factors, heavy metal immobilization, carbon sequestration, and climate resilience. This review emphasizes the main challenges and future prospects for biochar use in comparison to modified biochar (MB) to propose the best practices for sustainable farming systems. Full article

Penta-graphene, a novel two-dimensional carbon allotrope entirely composed of pentagonal carbon rings, has attracted increasing attention due to its unique geometric structure, mechanical robustness, and intrinsic semiconducting nature. In this study, we systematically investigate the adsorption behavior of three typical dissolved gases in transformer oil (CO, C₂H₂, and C₂H₄) on penta-graphene using first-principles calculations based on density functional theory. The optimized adsorption configuration, adsorption energy, charge transfer, adsorption distance, band structure, density of states, charge density difference, and desorption time are analyzed to evaluate the sensing capability of penta-graphene. Results reveal that penta-graphene exhibits moderate chemical interactions with CO and C₂H₂, accompanied by noticeable charge transfer and band structure changes, whereas C₂H₄ shows weaker physisorption characteristics. The projected density of states analysis further confirms the orbital hybridization between gas molecules and the substrate. Additionally, the desorption time calculations suggest that penta-graphene possesses good sensing and recovery potential, especially under elevated temperatures. These findings indicate that penta-graphene is a promising candidate for use in gas sensing applications related to the monitoring of dissolved gases in transformer oils. Full article

Zn-doped carbon dots (Zn@C-210 calcination temperature at 210 °C and Zn@C-260 calcination temperature at 260 °C) were synthesized via an in situ calcination method using zinc citrate complexes as precursors, aiming to investigate the mechanisms of their distinctive fluorescence properties. A range of analytical methods were employed to characterize these nanomaterials. The mechanism study revealed that the coordination structure of Zn-O, formed through zinc doping, can induce a metal–ligand charge-transfer effect, which significantly increases the probability of radiative transitions between the excited and ground states, thereby enhancing the fluorescence intensity. The Zn@C-210 in a solid state and Zn@C-260 in water exhibited approximately 71.50% and 21.1% quantum yields, respectively. Both Zn@C-210 and Zn@C-260 exhibited excitation-independent luminescence, featuring a long fluorescence lifetime of 6.5 μs for Zn@C-210 and 6.2 μs for Zn@C-260. Impressively, zinc-doped CDs displayed exceptional biosafety, showing no acute toxicity even at 1000 mg/kg doses. Zn@C-210 has excellent fluorescence in a solid state, showing promise in anti-photobleaching applications; meanwhile, the dual functionality of Zn@C-260 makes it useful as a folate sensor and cellular imaging probe. These findings not only advance the fundamental understanding of metal-doped carbon dot photophysics but also provide practical guidelines for developing targeted biomedical nanomaterials through rational surface engineering and doping strategies. Full article

The inclusion of adsorption thermodynamic analysis and performance benchmarking with existing adsorbents reinforces both the theoretical significance and practical applicability of this study. The modified rubber-derived carbon demonstrated a remarkably high DBT adsorption capacity of 254.45 mg/g. These results establish it as a promising alternative to conventional materials such as commercial activated carbon, zeolites, and even metal–organic framework materials. In addition to confirming the superior performance of the adsorbent, the findings provide a deeper understanding of the DBT adsorption mechanism and offer a solid scientific basis for large-scale fuel desulfurization applications. This research highlights the potential of transforming end-of-life tire waste into value-added functional materials and contributes to the advancement of sustainable and efficient desulfurization technologies. Future work should focus on optimizing surface functionalization and regeneration strategies to further improve long-term adsorption stability and practical deployment. Full article

Portland cement production is one of the main global sources of CO₂ emissions, driving the search for sustainable solutions to reduce its environmental footprint. This study evaluated the use of biochar derived from sugarcane bagasse as a partial cement replacement in cementitious composites, aiming to investigate its effects on mechanical and microstructural properties. Composites were prepared with 0, 2, and 5 (% w w⁻¹) biochar at two water-to-cement (w/c) ratios: 0.28 and 0.35. It was hypothesized that the porous structure and carbon-rich composition of biochar could enhance the microstructure of the cementitious matrix and contribute to strength development. Characterization of the biochar indicated compliance with the European Biochar Certificate (EBC) standard, high thermal stability, and notable water retention capacity. Mechanical testing revealed that incorporating 5% w w⁻¹ biochar increased compressive strength by up to 48% in the 0.35 w/c formulation compared to the control. Microstructural analyses (SEM/EDS) showed good interaction between the biochar and the cementitious matrix, with the formation of hydration products at the interfaces. The results confirm the potential of sugarcane bagasse biochar as a supplementary cementitious material, promoting more sustainable composites with improved mechanical performance and reduced environmental impact. Full article

A density functional theory (DFT) investigation was conducted to study the O₂ and CO₂ adsorption on very small Pd_3−nNi_n (n = 0–2) clusters supported on N-doped graphene quantum dots (N-GQDs). The study was carried out in two stages. First, the interaction between Pd_3−nNi_n (n = 0–2) clusters and N-GQDs was analyzed. Subsequently, the adsorption behavior of O₂ and CO₂ molecules on the supported clusters was examined. The calculated interaction energies (E_int) of Pd_3−nNi_n (n = 0–2) clusters on N-GQDs were found to be higher than those on pristine graphene, indicating enhanced cluster stability on N-GQDs. Furthermore, the adsorption energies (E_ads) of the O₂ molecule on the Pd₃ and Pd₂Ni clusters deposited on N-GQDs were similar. Meanwhile, the PdNi₂ cluster deposited on N-GQDs exhibited the highest E_ads (−1.740). The E_ads of CO₂ on Pd_3−nNi_n (n = 0–2) clusters embedded in N-GQDs were observed to be close to or exceed 1 eV. Upon adsorption of O₂ and CO₂ on the Pd_3−nNi_n (n = 0–2) clusters supported on N-GQDs, an elongation of the O–O and C–O bond lengths was observed, respectively. This structural change may facilitate the dissociation of these molecules on the supported clusters. Full article

Carbon fiber-reinforced composites (CFRCs) have attracted considerable attention in recent years due to their excellent properties, enabling their use across various sectors. However, their application at high temperatures is limited by the fibers’ lack of oxidation resistance. This study demonstrates a significant advancement in enhancing the oxidation stability performance of carbon fiber-reinforced composites (CFRCs) by developing a silicon carbide (SiC) coating through the ceramization of carbon fibers using silicon (Si) powder. For the first time, this method was applied to recycled carbon fibers from CF thermoplastic composites. The key findings include the successful formation of a uniform SiC coating, with coating thickness increasing with process duration and decreasing at higher temperatures. The treated fibers exhibited substantially improved oxidation resistance, maintaining structural stability above 700 °C—markedly better than that of their uncoated counterparts. Thermogravimetric analysis confirmed that oxidation resistance varied depending on the CF/Si ratio, highlighting this parameter’s critical role. Overall, this study offers a viable pathway to enhance the thermal durability of recycled carbon fibers for high-temperature applications. Full article

Using low-cost transition-metal chlorides and furfuryl alcohol as raw materials, the (TiZrHfNbTa)C precursor was prepared, and a three-dimensional braided carbon fiber preform (C/C) coated with pyrolytic carbon (PyC) was used as the reinforcing material. A C/C-(TiZrHfNbTa)C composite was successfully fabricated through the precursor impregnation pyrolysis (PIP) process. Under extreme oxyacetylene ablation conditions (2311 °C/60 s), this composite material demonstrated outstanding ablation resistance, with a mass ablation rate as low as 0.67 mg/s and a linear ablation rate of only 20 μm/s. This excellent performance can be attributed to the dense (HfZr)₆(TaNb)₂O₁₇ oxide layer formed during ablation. This oxide layer not only has an excellent anti-erosion capability but also effectively acts as an oxygen diffusion barrier, thereby significantly suppressing further ablation and oxidation within the matrix. This study provides an innovative strategy for the development of low-cost ultra-high-temperature ceramic precursors and opens up a feasible path for the efficient preparation of C/C-(TiZrHfNbTa)C composites. Full article