Mechanical, Structural and Electronic Properties of CO2 Adsorbed Graphitic Carbon Nitride (g-C3N4) under Biaxial Tensile Strain.
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ABSTRACT:
SUBMITTER: Qu LH
PROVIDER: S-EPMC8347895 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:The present study investigated the role of graphitic carbon nitride (C3N4) in alleviating cadmium (Cd)- and arsenic (As)-induced phytotoxicity to rice (Oryza sativa L.). A high-temperature pyrolysis was used to synthesize the C3N4, which was characterized by transmission electron microscopy, Fourier-transform infrared spectroscopy, and dynamic light scattering. Rice seedlings were exposed to C3N4 at 50 and 250 mg/L in half-strength Hoagland's solution amended with or without 10 mg/L Cd or As for 14 days. Both Cd and As alone resulted in 26-38% and 49-56% decreases in rice root and shoot biomass, respectively. Exposure to 250 mg/L C3N4 alone increased the root and shoot fresh biomass by 17.5% and 25.9%, respectively. Upon coexposure, Cd + C3N4 and As + C3N4 alleviated the heavy metal-induced phytotoxicity and increased the fresh weight by 26-38% and 49-56%, respectively. Further, the addition of C3N4 decreased Cd and As accumulation in the roots by 32% and 25%, respectively, whereas the metal contents in the shoots were 30% lower in the presence of C3N4. Both As and Cd also significantly altered the macronutrient (K, P, Ca, S, and Mg) and micronutrient (Cu, Fe, Zn, and Mn) contents in rice, but these alterations were not evident in plants coexposed to C3N4. Random amplified polymorphic DNA analysis suggests that Cd significantly altered the genomic DNA of rice roots, while no difference was found in shoots. The presence of C3N4 controlled Cd and As uptake in rice by regulating transport-related genes. For example, the relative expression of the Cd transporter OsIRT1 in roots was upregulated by approximately threefold with metal exposure, but C3N4 coamendment lowered the expression. Similar results were evident in the expression of the As transporter OsNIP1;1 in roots. Overall, these findings facilitate the understanding of the underlying mechanisms by which carbon-based nanomaterials alleviate contaminant-induced phyto- and genotoxicity and may provide a new strategy for the reduction of heavy metal contamination in agriculture.
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Project description:Good electrical conductivity and high electron mobility of the sorbent materials are prerequisite for electrocatalytically switchable CO2 capture. However, no conductive and easily synthetic sorbent materials are available until now. Here, we examined the possibility of conductive graphitic carbon nitride (g-C4N3) nanosheets as sorbent materials for electrocatalytically switchable CO2 capture. Using first-principle calculations, we found that the adsorption energy of CO2 molecules on g-C4N3 nanosheets can be dramatically enhanced by injecting extra electrons into the adsorbent. At saturation CO2 capture coverage, the negatively charged g-C4N3 nanosheets achieve CO2 capture capacities up to 73.9 × 10(13) cm(-2) or 42.3 wt%. In contrast to other CO2 capture approaches, the process of CO2 capture/release occurs spontaneously without any energy barriers once extra electrons are introduced or removed, and these processes can be simply controlled and reversed by switching on/off the charging voltage. In addition, these negatively charged g-C4N3 nanosheets are highly selective for separating CO2 from mixtures with CH4, H2 and/or N2. These predictions may prove to be instrumental in searching for a new class of experimentally feasible high-capacity CO2 capture materials with ideal thermodynamics and reversibility.
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Project description:The photoreduction of CO2 to hydrocarbon products has attracted much attention because it provides an avenue to directly synthesize value-added carbon-based fuels and feedstocks using solar energy. Among various photocatalysts, graphitic carbon nitride (g-C3N4) has emerged as an attractive metal-free visible-light photocatalyst due to its advantages of earth-abundance, nontoxicity, and stability. Unfortunately, its photocatalytic efficiency is seriously limited by charge carriers' ready recombination and their low reaction dynamics. Modifying the local electronic structure of g-C3N4 is predicted to be an efficient way to improve the charge transfer and reaction efficiency. Here, boron (B) is doped into the large cavity between adjacent tri-s-triazine units via coordination with two-coordinated N atoms. Theoretical calculations prove that the new electron excitation from N (2p x , 2p y ) to B (2p x , 2p y ) with the same orbital direction in B-doped g-C3N4 is much easier than N (2p x , 2p y ) to C 2p z in pure g-C3N4, and improves the charge transfer and localization, and thus the reaction dynamics. Moreover, B atoms doping changes the adsorption of CO (intermediate), and can act as active sites for CH4 production. As a result, the optimal sample of 1%B/g-C3N4 exhibits better selectivity for CH4 with ?32 times higher yield than that of pure g-C3N4.
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Project description:A one-dimensional (1D) nanostructure having a porous network is an exceptional photocatalytic material to generate hydrogen (H2) and decontaminate wastewater using solar energy. In this report, we synthesized nanoporous 1D microrods of graphitic carbon nitride (g-C3N4) via a facile and template-free chemical approach at room temperature. The use of concentrated acids induced etching and lift-off because of strong oxidation and protonation. Compared with the bulk g-C3N4, the porous 1D microrod structure showed five times higher photocatalytic degradation performance toward methylene blue dye (MB) under visible light irradiation. The photocatalytic H2 evolution of the 1D nanostructure (34??mol g(-1)) was almost 26 times higher than that of the bulk g-C3N4 structure (1.26??mol g(-1)). Additionally, the photocurrent stability of this nanoporous 1D morphology over 24?h indicated remarkable photocorrosion resistance. The improved photocatalytic activities were attributed to prolonged carrier lifetime because of its quantum confinement effect, effective separation and transport of charge carriers, and increased number of active sites from interconnected nanopores throughout the microrods. The present 1D nanostructure would be highly suited for photocatalytic water purification as well as water splitting devices. Finally, this facile and room temperature strategy to fabricate the nanostructures is very cost-effective.
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Project description:Graphitic carbon nitride (g-C3N4) is a conjugated polymer, which recently drew a lot of attention as a metal-free and UV and visible light responsive photocatalyst in the field of solar energy conversion and environmental remediation. This is due to its appealing electronic band structure, high physicochemical stability and earth-abundant nature. In the present work, bulk g-C3N4 was synthesized by thermal decomposition of melamine. This material was further exfoliated by thermal treatment. S-doped samples were prepared from thiourea or further treatment of exfoliated g-C3N4 by mesylchloride. Synthesized materials were applied for photocatalytic removal of air pollutants (acetaldehyde and NOx) according to the ISO 22197 and ISO 22197-1 methodology. The efficiency of acetaldehyde removal under UV irradiation was negligible for all g-C3N4 samples. This can be explained by the fact that g-C3N4 under irradiation does not directly form hydroxyl radicals, which are the primary oxidation species in acetaldehyde oxidation. It was proved by electron paramagnetic resonance (EPR) spectroscopy that the dominant species formed on the irradiated surface of g-C3N4 was the superoxide radical. Its production was responsible for a very high NOx removal efficiency not only under UV irradiation (which was comparable with that of TiO2), but also under visible irradiation.
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Project description:Owing to the high aspect ratio, the two-dimensional (2D) inorganic nanofillers have attracted extensive interest in the field of polymer reinforcement. In this work, graphitic carbon nitride (g-C₃N₄) nanosheets were obtained via thermal condensation of melamine and were then ultrasonically exfoliated in water, which was confirmed by atomic force microscopy (AFM) and TEM. Poly(vinyl alcohol) (PVA)/g-C₃N₄ nanocomposites were achieved by solution casting using water as the solvent. The structure and mechanical performance of PVA/g-C₃N₄ nanocomposites were studied. It was found that the g-C₃N₄ nanosheets were well dispersed in the PVA matrix. The introduction of g-C₃N₄ nanosheets increased the glass transition temperature and crystallinity of the nanocomposites, leading to the improved mechanical performance. Compared with the pure PVA, the PVA/g-C₃N₄ nanocomposite with 0.50 wt% g-C₃N₄ nanosheets showed ~70.7% enhancement in tensile strength, up from 51.2 MPa to 87.4 MPa.
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Project description:The electronic structure of the graphitic carbon nitride (g-C6N6) under strain was obtained using the hybrid density functional HSE06 with a larger computational workload. The g-C6N6 could withstand 12% of the applied tensile strain. The electronic structure of g-C6N6 could be changed effectively under the tensile force. The band gap changed from direct to indirect under the strain and could be tuned in the range of 3.16 eV to 3.75 eV. At approximately 4% of the applied strain, there was a transition of the valence band maximum (VBM). A wider range of light absorption could be obtained under the strain. Our results provide a prospect for the future applications of two-dimensional materials in electronic and optoelectronic devices.
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Project description:Metals and metal oxides are widely used as photo/electro-catalysts for environmental remediation. However, there are many issues related to these metal-based catalysts for practical applications, such as high cost and detrimental environmental impact due to metal leaching. Carbon-based catalysts have the potential to overcome these limitations. In this study, monodisperse nitrogen-doped carbon nanospheres (NCs) were synthesized and loaded onto graphitic carbon nitride (g-C3N4, GCN) via a facile hydrothermal method for photocatalytic removal of sulfachloropyridazine (SCP). The prepared metal-free GCN-NC exhibited remarkably enhanced efficiency in SCP degradation. The nitrogen content in NC critically influences the physicochemical properties and performances of the resultant hybrids. The optimum nitrogen doping concentration was identified at 6.0 wt%. The SCP removal rates can be improved by a factor of 4.7 and 3.2, under UV and visible lights, by the GCN-NC composite due to the enhanced charge mobility and visible light harvesting. The mechanism of the improved photocatalytic performance and band structure alternation were further investigated by density functional theory (DFT) calculations. The DFT results confirm the high capability of the GCN-NC hybrids to activate the electron-hole pairs by reducing the band gap energy and efficiently separating electron/hole pairs. Superoxide and hydroxyl radicals are subsequently produced, leading to the efficient SCP removal.
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