Structure Of Nitride Research Articles

Efficient removal of Rhodamine-B dye using sulfonated/un-sulfonated three-dimensional mesoporous carbon nitride prepared from KIT-6 template: kinetics, modelling, thermodynamic analysis

Mesoporous carbon nitride (MCN-K) was prepared using mesoporous KIT-6 material as a template and ethylenediamine and carbon tetrachloride as N and C sources, respectively. The synthesized MCN-K was treated with sulfuric acid under different experimental conditions, thus obtaining sulfonated MCN-KS adsorbents. The effects of initial solution pH, initial dye concentration, adsorbent amount, and temperature on Rhodamine-B (Rh-B) dye removal were investigated. The XRD, FT-IR, and N2 adsorption–desorption analyses confirmed that the mesoporous carbon nitride structure was successfully synthesized. The high nitrogen content (C/N molar ratio: 4.0) of the MCN-K sample was confirmed by (carbon, hydrogen, nitrogen and sulfur) CHNS elemental analysis. The XPS analysis was used to characterize the chemical states of the C, N and S atoms in the MCN-K and MCN-KS sorbents. It was found that there was not much difference between the removal percentages (93.13–89.92%) obtained in the pH range (4–12) studied. This result was attributed to the zwitter-ion form of Rh-B. The exothermic nature of the adsorption process of Rh-B on the MCN-K sorbent was determined by adsorption experiments performed at different temperatures. Adsorption capacities obtained from the Langmuir model were 185.2–104.2 mg/g in the studied temperature range. The kinetic behavior of the adsorption process was explained by the pseudo-second-order kinetic model in terms of both correlation coefficients (R2 > 0.91) and qe (35.59–190.26 mg/g) values. When the percentages of dye removal of the un-sulfonated and sulfonated samples were compared, it was found that sulfonation increased the adsorption rate considerably but did not contribute positively to the dye removal percentage.

DFT investigation on the design and optimization of icosahedral and octahedral beryllium nitride (Be3N2)x fullerene analogue. A comparative study with isosymmetry carbon fullerene

In this contribution, based on density Functional Theory, we focus on studying the structural and dynamic stability of octahedral and icosahedral beryllium nitride (Be3N2)x fullerenes and their symmetry equivalent carbon molecules. The icosahedron structure of beryllium nitride and carbon-based fullerenes shows hybrid features, between a sphere and a polyhedron. Nevertheless, the cohesive energies of carbon fullerenes are slightly lower than those of beryllium nitride based on Be3N2 units. Although icosahedral Ih (1,1) and Ih (2,2) (Be3N2)30 and (Be3N2)120 are energetically slightly less favorable than their corresponding carbon fullerenes, they showed chemically stable structures. IR & Raman spectra are also simulated using a coupled-perturbed KS/HF scheme permitting their identification. Importantly, no imaginary frequency is recorded in their vibrational spectra which confirms an inherent dynamic stability. These results provide valuable insights that can be extrapolated to other noncarbon nanostructures containing pentagonal rings or pentagonal defects.

Investigating Metric Dimension and Edge Metric Dimension of Hexagonal Boron Nitride and Carbon Nanotubes

When there is a difference in the distance between two vertices in a simple linked graph, then a vertex $x$ resolves both $u$ and $v$. If at least one vertex in $S$ distinguishes each pair of distinct vertices in $G$, then a set $S$ of vertices in $G$ is referred to as a resolving set. $G$'s metric dimension is the minimum number of vertices required in a resolving set. A subset $S$ of vertices in a simple connected graph is called an edge metric generator if each vertex can tell any two distinct edges $e_1$ and $e_2$ apart by their respective distances from each other. The edge metric dimension (EMD), denoted as $\mathrm{dim}_e(G)$, is the smallest cardinality of such a subset $S$ that serves as an edge metric generator for $G$. The primary objective of this study is to investigate the edge metric dimension (EMD) of hexagonal boron nitride and carbon nanotube structures.

Advanced carbon nitride‐based single‐atom photocatalysts

AbstractSingle‐atom catalysts (SACs) have rapidly become a hot topic in photocatalytic research due to their unique physical and chemical properties, high activity, and high selectivity. Among many semiconductor carriers, the special structure of carbon nitride (C3N4) perfectly meets the substrate requirements for stabilizing SACs; they can also compensate for the photocatalytic defects of C3N4 materials by modifying energy bands and electronic structures. Therefore, developing advanced C3N4‐based SACs is of great significance. In this review, we focus on elucidating efficient preparation strategies and the burgeoning photocatalytic applications of C3N4‐based SACs. We also outline prospective strategies for enhancing the performance of SACs and C3N4‐based SACs in the future. A comprehensive array of methodologies is presented for identifying and characterizing C3N4‐based SACs. This includes an exploration of potential atomic catalytic mechanisms through the simulation and regulation of atomic catalytic behaviors and the synergistic effects of single or multiple sites. Subsequently, a forward‐looking perspective is adopted to contemplate the future prospects and challenges associated with C3N4‐based SACs. This encompasses considerations, such as atomic loading, regulatory design, and the integration of machine learning techniques. It is anticipated that this review will stimulate novel insights into the synthesis of high‐load and durable SACs, thereby providing theoretical groundwork for scalable and controllable applications in the field.

Construction of dual driving force in carbon nitride for highly efficient hydrogen evolution: Simultaneously manipulating carriers transport in intra- and interlayer

Photocatalytic hydrogen evolution is widely recognized as an environmentally friendly approach to address future energy crises and environmental issues. However, rapid recombination of photo-induced charges over carbon nitride in lateral and vertical direction hinder this process. Herein, we proposed an effective strategy involving the embedding of benzene rings and the intercalation of platinum atoms on carbon nitride for a controlled intralayer and interlayer charges flow. Modified carbon nitride exhibits a significant higher hydrogen evolution rate (6288.5 μmol/g/h), which is 42 times greater than that of pristine carbon nitride. Both experiments and simulations collectively indicate that the improved photocatalytic activities can be attributed to the adjustment of the highly symmetric structure of carbon nitride, achieved by embedding benzene rings to induce the formation of an intralayer build-in electric field and intercalating Pt atoms to enhance interlayer polarization, which simultaneously accelerate lateral and vertical charges migration. This dual-direction charges separation mechanism in carbon nitride provides valuable insights for the development of highly active photocatalysis.

Rare earth-doped carbon nitride composite Ce-based metal-organic framework for visible light-driven nitrogen fixation catalysis

The utilization of visible light for photocatalytic nitrogen fixation offers a sustainable and eco-friendly strategy for the production of ammonia. The present study focuses on the synthesis of a series of rare earth-doped carbon nitride composite ultraviolet-activated Ce-UiO-66 catalysts, denoted as RECN-actMOF, for efficient nitrogen fixation. Rare earth doping modulates the band structure of carbon nitride, facilitating the formation of a type-I heterojunction with Ce-UiO-66 and promoting photocarrier generation at nitrogen fixation sites. Among these, Sm-doped SmCN-actMOF exhibits high visible-light absorption and efficient utilization of photocarriers, resulting in an apparent quantum efficiency (AQE) of 1.58% under 495 nm light irradiation. This study provides a pathway for enhancing the nitrogen fixation efficiency of photocatalysts through the incorporation of rare earth elements, and expanding the potential applications of rare earth materials in the field of photocatalysis.

Luminescent boron carbon oxynitride phosphors: a cost-efficient strategy to boost solar cell spectral responsiveness

The incorporation of a Luminescent down-shifting (LDS) layer has emerged as a compelling approach for augmenting the light absorption sensitivity and power conversion efficiency of solar cells, particularly in the short-wavelength light spectrum. In this investigation, we propose the utilization of low-cost, environmentally benign Boron carbon oxynitride (BCNO) phosphors as a viable material for the enhancement of solar radiation absorption in the ultraviolet-blue range. We synthesized BCNO phosphors through a combustion method and conducted a comprehensive analysis of the structural and spectral attributes concerning the impact of temperature. The synthesized boron carbon oxynitride phosphors exhibit a hexagonal boron nitride structure, with an irregular shape and an average particle size of 2447.9 nm. The analysis of photoluminescence spectra reveals that BCNO phosphors effectively capture photons within the 300–500 nm wavelength range and subsequently re-emit them at longer wavelengths. This phenomenon aligns with the overarching goal of optimizing solar cell performance, as it is in the longer wavelength range that solar cells exhibit enhanced efficiency. These findings support the promising potential of BCNO phosphors as a compelling choice for deployment as an LDS layer material on the periphery of solar cells. By facilitating increased photon absorption in the short-wavelength region, BCNO phosphors have the capacity to significantly enhance device performance.

Supermolecule polymer derived of carbon nitride with controllable nanosheet for enhancing the degradation performance of RhB and BPA

Using melamine-cyanuric acid (MCA) supramolecular polymer as a precursor, a method was employed to synthesize graphitic carbon nitride with a large specific surface area and controllable band structure. The band structure and morphology of graphitic carbon nitride (g-C3N4) are closely related to the type of solvent used. By treating it with hypophosphorous acid and subsequent high-temperature treatment for 10 h , the precursor material was calcined to produce graphitic carbon nitride with a hollow tubular morphology. Experimental results demonstrate that this material exhibits outstanding performance in photocatalytic degradation of Rhodamine B and Bisphenol A. This work provides a new and effective strategy for achieving visible-light photocatalytic degradation of organic compounds.

Layered conjugated porous fused aromatic network structures of two-dimensional carbon nitride: a first-principles calculation of optoelectronic properties

Layered conjugated porous fused aromatic network structures of two-dimensional carbon nitride: a first-principles calculation of optoelectronic properties

Fabrication of humidity monitoring sensor using porous silicon nitride structures for alkaline conditions

Porous silicon nitride structures were fabricated for a humidity sensor. The porous silicon structures were fabricated by the metal-assisted chemical etching process, and the conformal silicon nitride thin film was deposited by the atomic layer deposition process. The optimized porous sensor with the 10 nm-thick silicon nitride thin film had a hydrophilic surface and compared to other sensors, had an excellent humidity sensing response. Especially, it showed a superior humidity sensing response at 1 kHz with fast response and recovery times of 13.3 s and 12.4 s, respectively, were observed. Based on the electrochemical impedance spectroscopy results, the equivalent circuits and humidity sensing mechanism were discussed. The chemical stability of the silicon nitride was characterized using Tafel analysis in alkaline electrolytes. Additionally, the sensor's humidity sensing capabilities were tested under cement-embedded conditions.

The structure evolution of austenite stainless steel with pre-shot peening during plasma nitriding

Abstract Austenitic stainless steel is a very promising metal bipolar plate for proton exchange membrane fuel cells (PEMFC), which has advantages such as high mechanical strength, easy processing, and low cost. However, it is prone to corrosion in the acidic environment of PEMFC, which can have adverse effects on its lifespan and conductivity. By adopting a composite modification method to generate a dense nitride structure on the surface of 304 stainless steel bipolar plates, the corrosion resistance of the bipolar plate substrate can be improved. In this paper, shot peening pretreatment and plasma nitriding hybrid modification methods were employed to improve nitriding efficiency and reduce nitriding critical temperature, which generated a modified layer with good corrosion resistance on the surface of 304 austenitic stainless steel.

Momentum-Resolved Electronic Structures and Strong Electronic Correlations in Graphene-like Nitride Superconductors.

Although transition-metal nitrides have been widely applied for several decades, experimental investigations of their high-resolution electronic band structures are rare due to the lack of high-quality single-crystalline samples. Here, we report on the first momentum-resolved electronic band structures of titanium nitride (TiN) films, which are remarkable nitride superconductors. The measurements of the crystal structures and electrical transport properties confirmed the high quality of these films. More importantly, from a combination of high-resolution angle-resolved photoelectron spectroscopy and first-principles calculations, the extracted Coulomb interaction strength of TiN films can be as large as 8.5 eV, whereas resonant photoemission spectroscopy yields a value of 6.26 eV. These large values of Coulomb interaction strength indicate that superconducting TiN is a strongly correlated system. Our results uncover the unexpected electronic correlations in transition-metal nitrides, potentially providing a perspective not only to understand their emergent quantum states but also to develop their applications in quantum devices.

Electronic Structure of Aluminium Nitride and Its Solid Solutions with Oxygen and Aluminium

Electronic Structure of Aluminium Nitride and Its Solid Solutions with Oxygen and Aluminium

Modulation of Exposed Active Sites and Electronic Structure of Co-Doped Carbon Nitride Achieving Enhanced Activity toward Peroxymonosulfate Activation for Antibiotic Degradation

Modulation of Exposed Active Sites and Electronic Structure of Co-Doped Carbon Nitride Achieving Enhanced Activity toward Peroxymonosulfate Activation for Antibiotic Degradation

Shining bright: B@S-codoped graphitic carbon nitride nanorods illuminate enhanced catalytic C-N bond formation under visible-light

Graphitic carbon nitride as a photocatalyst seeking attention nowadays, due to its thermal stability, band structure, and chemical properties. Herein, we reported a boron sulfur co-doped graphitic carbon nitride (B@S-g-C3N4) photocatalyst synthesized by a one-pot thermal polycondensation mechanism. However, it was observed that due to co-doping in native carbon nitride structure the photocatalytic behavior and the band structure enhanced which was capable of fascinating the demand of organic transformations i.e. photocatalytic and charge transfer capability. The synthesized B@S-g-C3N4 photocatalyst was characterized by UV–vis DRS, FT-IR, XRD, SEM, EDX, HR-TEM, XPS and electrochemical properties. In addition, the synthesized B@S-g-C3N4 photocatalyst is a metal-free carbon nitride photocatalyst proven to be highly effective in performing organic transformations (conversion yield 98 %) like C-N bond formation under visible light source.

Structure and thermomechanical properties of superlattice-stabilized TiNbTaZrSiAlN high-entropy coating

Stabilizing the phase structure is the prerequisite for obtaining excellent properties of film materials. Here, we construct a multi-layer superlattice structure including high-entropy sublayer to further tailor the structure and properties of Al-containing nitride coating. A fully cubic structure of Ti0.11Nb0.14Ta0.13Zr0.14Si0.09Al0.39N/Ti0.55Al0.45N (HEN_M) multilayer is realized by stabilizing the cubic/wurtzite-mixed Ti0.11Nb0.14Ta0.13Zr0.14Si0.09Al0.39N (HEN) sublayers with the cubic Ti0.55Al0.45N template layers. The coherent interface strain increases the hardness to 37.5 ± 1.1 GPa for HEN_M in comparison with the corresponding monolithic coatings with 28.2 ± 0.9 GPa for Ti0.55Al0.45N and 22.2 ± 0.7 GPa for HEN. Simultaneously, the HEN_M multilayer shows the optimal Vickers indentation toughness. All coatings exhibit age-hardening characteristics stemming from the spinodal decomposition. Compared to Ti0.55Al0.45N reaching its peak hardness of ∼32.9 ± 0.9 GPa at 900°C, the sluggish diffusion effect promotes HEN and HEN_M maintaining the maximum hardness of ∼25.6 ± 0.8 GPa and ∼39.6 ± 0.9 GPa upon annealing to 1100 and 1000°C, respectively. In addition, exposed to synthetic air at 850°C for 10 h, Ti0.55Al0.45N coating has been completely oxidized, whereas the HEN and HEN_M coatings only experience partial oxidation with oxide scales of ∼1.52 and 0.78 μm.

Self-Powered Immunoassay of Norovirus in Human Stools by π-Electron-Rich Homojunction for Enhanced Charge Transfer.

Norovirus (NoV) stands as a significant causative agent of nonbacterial acute gastroenteritis on a global scale, presenting a substantial threat to public health. Hence, the development of simple and rapid analytical techniques for NoV detection holds great importance in preventing and controlling the outbreak of the epidemic. In this work, a self-powered photoelectrochemical (PEC) immunosensor of NoV capsid protein (VP1) was proposed by the π-electron-rich carbon nitride homojunction (ER-CNH) as the photoanode. C4N2 ring derived from π-rich locust bean gum was introduced into the tri-s-triazine structure, creating a large π-delocalized conjugated carbon nitride homojunction. This strategy enhances the C/N atomic ratio, which widens light utilization, narrows the bandgap, and optimizes the electronic band structure of carbon nitride. By introduction of a π-rich conjugated structure, p-type domains were induced within n-type domains to build the internal electric field at the interface, thus forming a p-n homojunction to boost carrier separation and transfer. The ER-CNH photoanode exhibited excellent photoelectric performance and water oxidation capacity. Since VP1 inhibits the water oxidation of the ER-CNH photoanode, the open-circuit potential of the as-prepared PEC immunosensor system was reduced for detecting NoV VP1. The self-powered PEC immunosensor achieved a remarkably low detection limit (∼5 fg mL-1) and displayed high stability and applicability for actual stool samples. This research serves as a foundation concept for constructing immunosensors to detect other viruses and promotes the application of self-powered systems for life safety.

Exploration of an atomic‐scale boron additive in SiAlON ceramics

AbstractSiAlON ceramics are of interest for high‐risk applications such as biomedical implants and combustion engine turbines. This work is part of a larger study aimed at leveraging atomic‐ or molecular‐scale additives to control the densification, microstructures, and ultimate structural properties of SiAlONs. Here, we investigate the effects of boron in silicon nitride‐based ceramics. The present work demonstrates a possible chemical method for controlling the microstructural development of SiAlONs by incorporating boric acid (H3BO3) into the starting powder blend. Raman spectroscopy and 11B solid‐state magic angle spinning nuclear magnetic resonance cooperatively indicate that after sintering, boron exists in threefold coordination with nitrogen in the turbostratic boron nitride (t‐BN) structure. The results of this work indicate that the incorporation of boron and generation of t‐BN bonding in the SiAlON system result in a narrower grain size distribution, a suppression of second phases such as yttrium aluminosilicates, and ultimately, increased flexure strength. A separate fractographic study showed that SiAlONs fabricated with 3 wt% boric acid exhibited fracture origins such as subtle surface flaws or cracks, while lower dopant levels and undoped SiAlONs typically failed from flaws such as inclusions or large grains. It is argued that the modification of the intergranular glass chemistry and resulting generation of t‐BN reduces atomic diffusion through the grain boundary phase and inhibits the crystallization of second phases as well as exaggerated grain growth that often characterizes the development of β′‐SiAlON.

Effect of phase transition on the piezoelectric properties of scandium-alloyed gallium nitride

In this study, the piezoelectric properties of scandium-alloyed gallium nitride (ScGaN), which is expected to be applied to microelectromechanical systems devices, are evaluated by first-principles calculations. The piezoelectric constant (d33) of GaN is found to increase by up to approximately 30 times upon the addition of 62.5 mol. % of Sc. The piezoelectric stress constant (e33) increases and the elastic constant (C33) decreases with increasing Sc content of ScGaN, driving the rise of d33. The improved piezoelectric properties of ScGaN compared with those of GaN are largely attributed to elastic softening, which is thought to be related to the transition from a wurtzite to hexagonal boron nitride (h-BN) structure driven by the change in bonding states between atoms caused by the addition of Sc to GaN. The crystal orbital Hamilton population analysis suggests that addition of Sc to GaN results in the combination of weaker Sc–N and Ga–N bonding, which makes the crystal structure unstable. This weakened bonding is thought to be the main cause of the destabilization of the wurtzite structure and transition to the h-BN structure of ScGaN. The elastic softening associated with this structural transition leads to the dramatic improvement in piezoelectric properties.

Reverse water gas-shift reaction product driven dynamic activation of molybdenum nitride catalyst surface

In heterogeneous catalysis catalyst activation is often observed during the reaction process, which is mostly attributed to the induction by reactants. In this work we report that surface structure of molybdenum nitride (MoNx) catalyst exhibits a high dependency on the partial pressure or concentration of reaction products i.e., CO and H2O in reverse water gas-shift reaction (RWGS) (CO2:H2 = 1:3) but not reactants of CO2 and H2. Molybdenum oxide (MoOx) overlayers formed by oxidation with H2O are observed at reaction pressure below 10 mbar or with low partial pressure of CO/H2O products, while CO-induced surface carbonization happens at reaction pressure above 100 mbar and with high partial pressure of CO/H2O products. The reaction products induce restructuring of MoNx surface into more active molybdenum carbide (MoCx) to increase the reaction rate and make for higher partial pressure CO, which in turn promote further surface carbonization of MoNx. We refer to this as the positive feedback between catalytic activity and catalyst activation in RWGS, which should be widely present in heterogeneous catalysis.