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Keywords = ternary nitride

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22 pages, 4363 KiB  
Article
Enhancing Cutting Oil Efficiency with Nanoparticle Additives: A Gaussian Process Regression Approach to Viscosity and Cost Optimization
by Beytullah Erdoğan, İrfan Kılıç, Abdulsamed Güneş, Orhan Yaman and Ayşegül Çakır Şencan
Nanomaterials 2025, 15(13), 1008; https://doi.org/10.3390/nano15131008 - 30 Jun 2025
Viewed by 324
Abstract
Nanoparticle additives are used to increase the cooling efficiency of cutting fluids in machining. In this study, changing dynamic viscosity values depending on the addition of nanoparticles to cutting oils was investigated. Mono nanofluids were prepared by adding hBN (hexagonal boron nitride), ZnO, [...] Read more.
Nanoparticle additives are used to increase the cooling efficiency of cutting fluids in machining. In this study, changing dynamic viscosity values depending on the addition of nanoparticles to cutting oils was investigated. Mono nanofluids were prepared by adding hBN (hexagonal boron nitride), ZnO, MWCNT (multi-walled carbon nanotube), TiO2, and Al2O3 as nanoparticles, hybrid nanofluids were prepared by using two types of nanoparticles (ZnO + MWCNT, hBN + MWCNT etc.), and ternary nanofluids were prepared by using three types of nanoparticles. GPR (Gaussian process regression) was used to estimate unmeasured dynamic viscosity values using the dynamic viscosity values measured for different temperatures. Dynamic viscosity results are a precise determination (R2 = 1). An augmented dataset was obtained by adding the dynamic viscosity values estimated with high accuracy. A fitness function based on dynamic viscosity and nanoparticle unit costs was proposed for the cost analysis. With the help of the proposed fitness function, it was observed that the best performing nanoparticles were the ZnO and ZnO hybrid mixtures according to different dynamic viscosity and cost effects. The study showed that the most suitable nanofluid selection focused on performance and cost could be made without performing experiments under various operating conditions by increasing the limited experimental measurements with strong GPR estimates and using the proposed fitness function. Full article
(This article belongs to the Section Environmental Nanoscience and Nanotechnology)
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20 pages, 6272 KiB  
Article
Experimental Investigation of the Interplay Between Al-, B-, and Ti-Nitrides in Microalloyed Steel and Thermodynamic Analysis
by Markus Führer, Sabine Zamberger, Christoph Seubert and Erwin Povoden-Karadeniz
Metals 2025, 15(7), 705; https://doi.org/10.3390/met15070705 - 25 Jun 2025
Viewed by 445
Abstract
Aluminum, boron, and titanium microalloyed into high-strength low-alloy boron steel exhibit a complex interplay, competing for nitrogen, with titanium demonstrating the highest affinity, followed by boron and aluminum. This competition affects the formation and distribution of nitrides, impacting the microstructure and mechanical properties [...] Read more.
Aluminum, boron, and titanium microalloyed into high-strength low-alloy boron steel exhibit a complex interplay, competing for nitrogen, with titanium demonstrating the highest affinity, followed by boron and aluminum. This competition affects the formation and distribution of nitrides, impacting the microstructure and mechanical properties of the steel. Titanium protects boron from forming BN and facilitates the nucleation of acicular ferrite, enhancing toughness. The segregation of boron to grain boundaries, rather than its precipitation as boron nitride, promotes the formation of martensite and thus the through-hardenability. Aluminum nitride is critical in controlling grain size through a pronounced pinning effect. In this study, we employ energy- and wavelength-dispersive X-ray spectroscopy and computer-aided particle analysis to analyze the phase content of 12 high-purity vacuum induction-melted samples. The primary objective of this study is to correctly describe the microstructural evolution in the Fe-Al-B-Ti-C-N system using the Calphad approach, with special emphasis on correctly predicting the dissolution temperatures of nitrides. A multicomponent database is constructed through the incorporation of available binary and ternary descriptions, employing the Calphad approach. The experimental findings regarding the solvus temperature of the involved nitrides are employed to validate the accuracy of the thermodynamic database. The findings offer a comprehensive understanding of the relative phase stabilities and the associated interplay among the involved elements Al, B, and Ti in the Fe-rich corner of the system. The type and size distribution of the stable nitrides in microalloyed steel have been demonstrated to exert a substantial influence on the properties of the material, thereby rendering accurate predictions of phase stabilities of considerable relevance. Full article
(This article belongs to the Special Issue Multi-scale Simulation of Metallic Materials (2nd Edition))
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25 pages, 5601 KiB  
Article
Photocatalytic Degradation of Acetaminophen by g-C3N4/CQD/Ag Nanocomposites from Aqueous Media
by Ali Toolabi, Mahsa Tahergorabi, Jamal Mehralipour, Neda Seyedi and Negin Nasseh
J. Compos. Sci. 2025, 9(5), 197; https://doi.org/10.3390/jcs9050197 - 22 Apr 2025
Cited by 2 | Viewed by 826
Abstract
Ternary g-C3N4/CQD/Ag photocatalysts were synthesized via deposition of carbon quantum dots (CQDs) and silver nanoparticles (Ag) onto graphitic carbon nitride (g-C3N4) for efficient acetaminophen degradation. The nanocomposites exhibited enhanced photoresponse and broad-spectrum photocatalytic activity under [...] Read more.
Ternary g-C3N4/CQD/Ag photocatalysts were synthesized via deposition of carbon quantum dots (CQDs) and silver nanoparticles (Ag) onto graphitic carbon nitride (g-C3N4) for efficient acetaminophen degradation. The nanocomposites exhibited enhanced photoresponse and broad-spectrum photocatalytic activity under both UV (254 nm, 250 W) and Xenon (>420 nm, 500 W) irradiation. Characterization by XRD, FTIR, SEM, PL, and EDX elucidated the material’s composition, structure, morphology, and optical properties. Optimized photocatalytic degradation of acetaminophen (50 mg/L) was achieved at pH 7 with 0.6 g/L catalyst loading and 60 min irradiation, yielding degradation efficiencies of 87.5% (UV) and 85.3% (Xenon). Radical quenching experiments and GC-MS analysis identified hydroxyl radicals as the primary reactive species and revealed a gradual decrease in intermediate toxicity during mineralization. This study demonstrates the superior photocatalytic performance of the ternary g-C3N4/CQD/Ag nanocomposites compared to binary systems for effective acetaminophen removal. Full article
(This article belongs to the Section Carbon Composites)
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13 pages, 4977 KiB  
Article
In Situ Reinforced g-C3N4/CoO/CoP Ternary Composite for Enhanced Photocatalytic H2 Production
by Yanan Han, Zhaohui Wang, Xiuyuan Yang, Zhongjun Li and Yike Li
Catalysts 2025, 15(4), 315; https://doi.org/10.3390/catal15040315 - 26 Mar 2025
Cited by 1 | Viewed by 552
Abstract
To meet the growing demand for renewable energy, developing efficient and cost-effective photocatalytic materials is crucial. Specifically, designing photocatalysts with high charge separation efficiency and abundant hydrogen production active sites remains a key challenge for practical applications. In this study, a carbon nitride [...] Read more.
To meet the growing demand for renewable energy, developing efficient and cost-effective photocatalytic materials is crucial. Specifically, designing photocatalysts with high charge separation efficiency and abundant hydrogen production active sites remains a key challenge for practical applications. In this study, a carbon nitride (g-C3N4)-based ternary photocatalyst has been constructed for enhanced photocatalytic H2 production without the need for precious metal cocatalysts. CoO nanoparticles were loaded onto the surface of g-C3N4 via in situ thermal decomposition. Subsequently, a series of g-C3N4/CoO/CoP ternary composites were successfully prepared using a direct one-step phosphorization method. Under optimized conditions, the g-C3N4/CoO/CoP catalyst exhibits a hydrogen evolution activity of 1277.9 μmol·g−1·h−1, which is 4 times higher than that of g-C3N4/CoO (with g-C3N4 alone showing no hydrogen evolution activity). Its performance is comparable to that of the commonly used Pt cocatalyst. The performance improvement may be attributed to the tight bonding of N-P bonds, which effectively promotes the transport of photogenerated carriers, while the increased loading of CoP provides more active sites. The results offer a promising strategy for designing efficient and low-cost photocatalytic materials. Full article
(This article belongs to the Special Issue Catalysis for Hydrogen Storage and Release)
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15 pages, 2734 KiB  
Article
Engineering the Mechanics and Thermodynamics of Ti3AlC2, Hf3AlC2, Hf3GaC2, (ZrHf)3AlC2, and (ZrHf)4AlN3 MAX Phases via the Ab Initio Method
by Adel Bandar Alruqi
Crystals 2025, 15(1), 87; https://doi.org/10.3390/cryst15010087 - 17 Jan 2025
Cited by 1 | Viewed by 1170
Abstract
When combined with ceramics, ternary carbides, nitrides, and borides form a class of materials known as MAX phases. These materials exhibit a multilayer hexagonal structure and are very strong, damage tolerant, and thermally stable. Further, they have a low thermal expansion and exhibit [...] Read more.
When combined with ceramics, ternary carbides, nitrides, and borides form a class of materials known as MAX phases. These materials exhibit a multilayer hexagonal structure and are very strong, damage tolerant, and thermally stable. Further, they have a low thermal expansion and exhibit outstanding resistance to corrosion and oxidation. However, despite the numerous MAX phases that have been identified, the search for better MAX phases is ongoing, including the recently discovered Zr3InC2 and Hf3InC2. The properties of MAX phases are still being tailored in order to lower their ductility. This study investigated Ti3AlC2 alloyed with nitrogen, gallium, hafnium, and zirconium with the aim of achieving better mechanical and thermal performances. Density functional theory within Quantum Espresso module was used in the computations. The Perdew–Burke–Ernzerhof generalised gradient approximation functionals were utilised. (ZrHf)4AlN3 exhibited an enhanced bulk and Young’s moduli, entropy, specific heat, and melting temperature. The best thermal conductivity was observed in the case of (ZrHf)3AlC2. Further, Ti3AlC2 exhibited the highest shear modulus, Debye temperature, and electrical conductivity. These samples can thus form part of the group of MAX phases that are used in areas wherein the above properties are crucial. These include structural components in aerospace and automotive engineering applications, turbine blades, and heat exchanges. However, the samples need to be synthesised and their properties require verification. Full article
(This article belongs to the Special Issue Modern Technologies in the Manufacturing of Metal Matrix Composites)
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16 pages, 12195 KiB  
Article
Microstructure and Mechanical Behavior of Magnetron Co-Sputtering MoTaN Coatings
by Jia-Yi Hsu and Fan-Bean Wu
Coatings 2025, 15(1), 80; https://doi.org/10.3390/coatings15010080 - 13 Jan 2025
Viewed by 810
Abstract
In recent years, there have been important developments in the refractory metal nitride coatings used for versatile applications, such as MoN, TaN, NbN, etc. Engineered approaches, including the deposition method, microstructure control, structural design, and the addition of functional elements, are put into [...] Read more.
In recent years, there have been important developments in the refractory metal nitride coatings used for versatile applications, such as MoN, TaN, NbN, etc. Engineered approaches, including the deposition method, microstructure control, structural design, and the addition of functional elements, are put into practice for the promotion of coating characteristics. This study focuses on the microstructure and mechanical properties of ternary molybdenum tantalum nitride, MoTaN, coatings. MoTaN was deposited using a reactive radio frequency (r.f.) magnetron co-sputtering system with Mo/Ta target input power modulation control. The effects of composition and microstructure variations on its mechanical properties, including its hardness, elastic modulus, and wear behavior, were investigated. In general, the MoTaN coatings exhibited a columnar polycrystalline microstructure with MoN(111), Mo2N(111), Mo2N(200), TaN(200), and TaN(220) phases and orientations based on X-ray diffraction analysis. The addition of Ta triggered the transition of the primary orientation of Mo2N(111) into Mo2N(200). Transmission electron microscopy was utilized to analyze the transformation of the multiphase structure and changes in the grain size in terms of the Ta addition. According to nanoindentation and wear resistance analyses, superior hardness, elastic modulus, H/E, H3/E2, and wear-resistance values were identified for the MoTaN coatings with 6.8 to 10.4 at.% Ta, and a maximum hardness of 18.0 GPa was found for the MoTaN coating deposited at an input power of Mo/Ta = 150/100 W/W. An optimized hardness of 18.0 GPa and an elastic modulus of 220.7 GPa were obtained. The adjustment of the input power during deposition played a critical role in determining the overall performance of the MoTaN co-sputtering coatings. The MoTaN coating with optimized mechanical properties is attributed to its multiphase microstructure and fine columnar grain size of less than 30 nm. Full article
(This article belongs to the Special Issue Sputtering Deposition for Advanced Materials and Interfaces)
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23 pages, 15156 KiB  
Article
Wear Resistance of Ceramic Cutting Inserts Using Nitride Coatings and Microtexturing by Electrical Discharge Machining
by Marina A. Volosova, Anna A. Okunkova, Elena Y. Kropotkina, Enver S. Mustafaev and Khasan I. Gkhashim
Eng 2025, 6(1), 11; https://doi.org/10.3390/eng6010011 - 9 Jan 2025
Cited by 1 | Viewed by 1286
Abstract
Today, the machining of heat-resistant alloys based on triple, quad, or penta equilibria high-entropy alloy systems of elements (ternary, quaternary, quinary iron-, titanium-, or nickel-rich alloys), including dual-phase by Gibb’s phase rule, steels of the austenite class, and nickel- and titanium-based alloys, are [...] Read more.
Today, the machining of heat-resistant alloys based on triple, quad, or penta equilibria high-entropy alloy systems of elements (ternary, quaternary, quinary iron-, titanium-, or nickel-rich alloys), including dual-phase by Gibb’s phase rule, steels of the austenite class, and nickel- and titanium-based alloys, are highly relevant for the airspace and aviation industry, especially for the production of gas turbine engines. Cutting tools in contact with those alloys should withstand intensive mechanical and thermal loads (tense state of 1.38·108–1.54·108 N/m2, temperature up to 900–1200 °C). The most spread material for those tools is cutting ceramics based on oxides, nitrides of the transition and post-transition metals, and metalloids. This work considers the wear resistance of the cutting insert of silicon nitride with two unique development coatings — titanium–zirconium nitride coating (Ti,Zr)N and complex quad nitride coating with TiN content up to 70% (Ti,Al,Cr,Si)N with a thickness of 3.8–4.0 µm on which microtextures were produced by the assisted electric discharge machining with the electrode-tool of ø0.25 mm. The microtextures were three parallel microgrooves of R0.13+0.02 mm at a depth of 0.025−0.05. The operational life was increased by ~1.33 when the failure criterion in turning nickel alloy was 0.4 mm. Full article
(This article belongs to the Section Materials Engineering)
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12 pages, 5302 KiB  
Article
Enhancing Carriers’ Confinement by Introducing BAlGaN Quantum Barriers for the Better Optoelectronic Performance of Deep UV LEDs
by Jamshad Bashir, Muhammad Usman, Dmitri Sergeevich Arteev, Zoya Noor and Ahmed Ali
Photonics 2025, 12(1), 49; https://doi.org/10.3390/photonics12010049 - 8 Jan 2025
Viewed by 885
Abstract
Ultraviolet light-emitting diodes (LEDs) based on Aluminum Gallium Nitride (AlGaN) suffer from poor carriers’ confinement effect, one possible solution to this problem is to increase the barrier heights for carriers by increasing Aluminum content in quantum barriers (QBs), which results in a higher [...] Read more.
Ultraviolet light-emitting diodes (LEDs) based on Aluminum Gallium Nitride (AlGaN) suffer from poor carriers’ confinement effect, one possible solution to this problem is to increase the barrier heights for carriers by increasing Aluminum content in quantum barriers (QBs), which results in a higher turn-on voltage. Keeping this in mind, we have improved the carriers’ confinement by introducing a small amount of Boron nitride (BN) (2%) in ternary QBs and an electron injecting layer, which results in higher barriers that restrict the out-of-active region movement of electrons and holes. With quaternary BxAlyGazN QBs, significantly enhanced electrons and hole concentrations can be observed in the active region of quantum wells (QWs), which leads to a 4.3 times increased radiative recombination rate with a 68% better internal quantum efficiency (IQE) than the referenced conventional LEDs. Relying on the fairly improved IQE and radiative recombinations, other optoelectronic characteristics such as luminous power, emission intensity, etc., are also enhanced. Our whole analysis is based on numerical techniques but we believe that fabricating the proposed type of LEDs will result in desirable light extraction and external quantum efficiencies. Full article
(This article belongs to the Section Lasers, Light Sources and Sensors)
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14 pages, 4674 KiB  
Article
Machine Learning Accelerated Design of High-Temperature Ternary and Quaternary Nitride Superconductors
by Md Tohidul Islam, Qinrui Liu and Scott Broderick
Appl. Sci. 2024, 14(20), 9196; https://doi.org/10.3390/app14209196 - 10 Oct 2024
Cited by 3 | Viewed by 1496
Abstract
The recent advancements in the field of superconductivity have been significantly driven by the development of nitride superconductors, particularly niobium nitride (NbN). Multicomponent nitrides offer a promising platform for achieving high-temperature superconductivity. Beyond their high superconducting transition temperature (Tc), niobium-based compounds are notable [...] Read more.
The recent advancements in the field of superconductivity have been significantly driven by the development of nitride superconductors, particularly niobium nitride (NbN). Multicomponent nitrides offer a promising platform for achieving high-temperature superconductivity. Beyond their high superconducting transition temperature (Tc), niobium-based compounds are notable for their superior superconducting and mechanical properties, making them suitable for a wide range of device applications. In this work, machine learning is used to identify ternary and quaternary nitrides, which can surpass the properties of binary NbN. Specifically, Nb0.35Ta0.23Ti0.42N shows an 84.95% improvement in Tc compared to base NbN, while the ternary composition Nb0.55Ti0.45N exhibits a 17.29% improvement. This research provides a valuable reference for the further exploration of high-temperature superconductors in diversified ternary and quaternary compositions. Full article
(This article belongs to the Special Issue Data and Text Mining: New Approaches, Achievements and Applications)
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14 pages, 4493 KiB  
Article
Ternary ZnS/ZnO/Graphitic Carbon Nitride Heterojunction for Photocatalytic Hydrogen Production
by Asset Bolatov, Alida Manjovelo, Bilel Chouchene, Lavinia Balan, Thomas Gries, Ghouti Medjahdi, Bolat Uralbekov and Raphaël Schneider
Materials 2024, 17(19), 4877; https://doi.org/10.3390/ma17194877 - 4 Oct 2024
Cited by 5 | Viewed by 1409
Abstract
Ternary ZnS/ZnO/graphitic carbon nitride (gCN) photocatalysts were prepared by coupling gCN sheets with ZnO nanorods under solvothermal conditions followed by sulfurization using Na2S. SEM and TEM analyses show that small-sized ZnS particles (ca. 7.2 nm) deposit homogeneously on the surface of [...] Read more.
Ternary ZnS/ZnO/graphitic carbon nitride (gCN) photocatalysts were prepared by coupling gCN sheets with ZnO nanorods under solvothermal conditions followed by sulfurization using Na2S. SEM and TEM analyses show that small-sized ZnS particles (ca. 7.2 nm) deposit homogeneously on the surface of ZnO/gCN nanohybrids. Photoluminescence and electrochemical impedance spectroscopy show that ZnS allows for an enhanced charge separation efficiency as well as prolonged lifetime of photogenerated charge carriers, leading to improved hydrogen photoproduction under UV light irradiation compared to ZnO/gCN. Moreover, the deposition of ZnS nanoparticles improves the photostability of the ZnS/ZnO/gCN catalyst for hydrogen production. A double Z-scheme mechanism is proposed for hydrogen photoproduction using the ZnS/ZnO/gCN heterojunction. Full article
(This article belongs to the Section Energy Materials)
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20 pages, 6692 KiB  
Article
Three-Dimensionally Printed Ternary Composites of Polyamide: Effect of Gradient Structure on Dimensional Stability and Mechanical Properties
by Qiming Chen, Zewei Cai, Dhandapani Kuzhandaivel, Xianliang Lin, Jianlei Wang and Suyu Chen
Polymers 2024, 16(19), 2697; https://doi.org/10.3390/polym16192697 - 24 Sep 2024
Viewed by 1308
Abstract
Fused deposition modeling (FDM) 3D printing has the advantages of a simple molding principle, convenient operation, and low cost, making it suitable for the production and fabrication of complex structural parts. Moving forward to mass production using 3D printing, the major hurdle to [...] Read more.
Fused deposition modeling (FDM) 3D printing has the advantages of a simple molding principle, convenient operation, and low cost, making it suitable for the production and fabrication of complex structural parts. Moving forward to mass production using 3D printing, the major hurdle to overcome is the achievement of high dimensional stability and adequate mechanical properties. In particular, engineering plastics require precise dimensional accuracy. In this study, we overcame the issues of FDM 3D printing in terms of ternary material compounds for polyamides with gradient structures. Using multi-walled carbon nanotubes (MWCNTs) and boron nitride (BN) as fillers, polyamide 6 (PA6)-based 3D-printed parts with high dimensional stability were prepared using a single-nozzle, two-component composite fused deposition modeling (FDM) 3D printing technology to construct a gradient structure. The ternary composites were characterized via DSC and XRD to determine the optimal crystallinity. The warpage and shrinkage of the printed samples were measured to ensure the dimensional properties. The mechanical properties were analyzed to determine the influence of the gradient structures on the composites. The experimental results show that the warpage of pure polymer 3D-printed parts is as high as 72.64%, and the introduction of a gradient structure can reduce the warpage to 3.40% by offsetting the shrinkage internal stress between layers. In addition, the tensile strength of the gradient material reaches up to 42.91 MPa, and the increasing filler content improves the interlayer bonding of the composites, with the bending strength reaching up to 60.91 MPa and the interlayer shear strength reaching up to 10.23 MPa. Therefore, gradient structure design can be used to produce PA6 3D-printed composites with high dimensional stability without sacrificing the mechanical properties of PA6 composites. Full article
(This article belongs to the Special Issue Polymer Materials for Application in Additive Manufacturing)
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22 pages, 4253 KiB  
Article
Enhanced Visible-Light-Assisted Photocatalytic Removal of Tetracycline Using Co/La@g-C3N4 Ternary Nanocomposite and Underlying Reaction Mechanisms
by Kingsley Igenepo John, Touma B. Issa, Goen Ho, Aleksandar N. Nikoloski and Dan Li
Water 2024, 16(18), 2563; https://doi.org/10.3390/w16182563 - 10 Sep 2024
Cited by 1 | Viewed by 1329
Abstract
Graphitic carbon nitride (g-C3N4) is a promising material for photocatalytic applications. However, it suffers from poor visible-light absorption and a high recombination rate of photogenerated electron–hole pairs. Here, Co/La@g-C3N4 with enhanced photocatalytic activity was prepared by [...] Read more.
Graphitic carbon nitride (g-C3N4) is a promising material for photocatalytic applications. However, it suffers from poor visible-light absorption and a high recombination rate of photogenerated electron–hole pairs. Here, Co/La@g-C3N4 with enhanced photocatalytic activity was prepared by co-doping Co and La into g-C3N4 via a facile one-pot synthesis. Co/La@g-C3N4 displayed better performance, achieving 94% tetracycline (TC) removal within 40 min, as compared with g-C3N4 (BCN, 65%). It also demonstrated promising performance in degrading other pollutants, which was ~2–4-fold greater relative to BCN. The improved photocatalytic activity of Co/La@g-C3N4 was associated with improved photogenerated charge separation, reduced charge transfer resistance, a built-in electric field arising from the p-n-p heterojunction, and the synergistic effect of ternary components for the separation and transfer of the photogenerated charge carriers. Superoxide radicals are suggested to be the most notable reactive species responsible for the photocatalytic reaction. Environmental factors, including the pollutant concentration, catalyst dosage, solution pH, inorganic salts, water matrices, and mixture with dyes, were considered in the photocatalytic reactions. Co/La@g-C3N4 showed good reusability for five cycles of the photocatalytic degradation of TC. The facile one-pot co-doping of Co and La in g-C3N4 formed a p-n-p heterojunction with boosted photocatalytic activity for the highly efficient removal of TC from various water matrices. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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9 pages, 2358 KiB  
Article
Carbon and Silicon Impurity Defects in GaN: Simulating Single-Photon Emitters by First Principles
by Junxiao Yuan, Jinglei Du, Yidong Hou, Feiliang Chen and Qian Li
Materials 2024, 17(15), 3788; https://doi.org/10.3390/ma17153788 - 1 Aug 2024
Cited by 3 | Viewed by 1460
Abstract
Defect single-photon emitters (SPE) in gallium nitride (GaN) have garnered great attentions in recent years due to the advantages they offer, including the ability to operate at room temperature, narrow emission linewidths, and high brightness. Nevertheless, the precise nature of the single-photon emission [...] Read more.
Defect single-photon emitters (SPE) in gallium nitride (GaN) have garnered great attentions in recent years due to the advantages they offer, including the ability to operate at room temperature, narrow emission linewidths, and high brightness. Nevertheless, the precise nature of the single-photon emission mechanism remains uncertain due to the multitude of potential defects that can form in GaN. In this work, our systematical investigation with the ab initio calculation indicates that carbon and silicon, as common dopants in gallium nitride, can interact with intrinsic defects in GaN and form new high-speed defect single-photon sources. Our findings identify a ternary defect NGaVNCN that possesses a short lifetime of less than 1 ns and a small zero-photon line (ZPL) of 864 nm. In other words, this defect can serve as a high-speed single photon source in the short wavelength window for fiber communication. In sharp contrast, the Si-supported defect NGaVNSiN has a higher unoccupied defect energy level which enters the conduction band and is therefore unsuitable for single photon emission. A systematic investigation has been conducted into the potential defects, thermal stability, and single-photon emission properties. The relaxation calculation and self-consistent calculations employed the Perdew–Burke–Ernzerhof exchange-correlation functional and Heyd–Scuseria–Ernzerhof exchange-correlation functional, respectively. These findings indicate the potential for high-performance single-photon sources through carbon or silicon doping of GaN. Full article
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91 pages, 19320 KiB  
Review
Ammonothermal Crystal Growth of Functional Nitrides for Semiconductor Devices: Status and Potential
by Thomas Wostatek, V. Y. M. Rajesh Chirala, Nathan Stoddard, Ege N. Civas, Siddha Pimputkar and Saskia Schimmel
Materials 2024, 17(13), 3104; https://doi.org/10.3390/ma17133104 - 25 Jun 2024
Cited by 4 | Viewed by 2991
Abstract
The state-of-the-art ammonothermal method for the growth of nitrides is reviewed here, with an emphasis on binary and ternary nitrides beyond GaN. A wide range of relevant aspects are covered, from fundamental autoclave technology, to reactivity and solubility of elements, to synthesized crystalline [...] Read more.
The state-of-the-art ammonothermal method for the growth of nitrides is reviewed here, with an emphasis on binary and ternary nitrides beyond GaN. A wide range of relevant aspects are covered, from fundamental autoclave technology, to reactivity and solubility of elements, to synthesized crystalline nitride materials and their properties. Initially, the potential of emerging and novel nitrides is discussed, motivating their synthesis in single crystal form. This is followed by a summary of our current understanding of the reactivity/solubility of species and the state-of-the-art single crystal synthesis for GaN, AlN, AlGaN, BN, InN, and, more generally, ternary and higher order nitrides. Investigation of the synthesized materials is presented, with a focus on point defects (impurities, native defects including hydrogenated vacancies) based on GaN and potential pathways for their mitigation or circumvention for achieving a wide range of controllable functional and structural material properties. Lastly, recent developments in autoclave technology are reviewed, based on GaN, with a focus on advances in development of in situ technologies, including in situ temperature measurements, optical absorption via UV/Vis spectroscopy, imaging of the solution and crystals via optical (visible, X-ray), along with use of X-ray computed tomography and diffraction. While time intensive to develop, these technologies are now capable of offering unprecedented insight into the autoclave and, hence, facilitating the rapid exploration of novel nitride synthesis using the ammonothermal method. Full article
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12 pages, 4882 KiB  
Article
Aerogel for Highly Efficient Photocatalytic Degradation
by Xue-Chun Yang and Jing-Tai Zhao
Gels 2024, 10(2), 100; https://doi.org/10.3390/gels10020100 - 26 Jan 2024
Cited by 5 | Viewed by 2554
Abstract
Photocatalysis is one of the effective ways to degrade pollutant antibiotics. Agar is used as the adsorption module to provide abundant pore structure. Carbon dots (CDs) are selected as light energy conversion components. Graphitic carbon nitride (g-C3N4) is used [...] Read more.
Photocatalysis is one of the effective ways to degrade pollutant antibiotics. Agar is used as the adsorption module to provide abundant pore structure. Carbon dots (CDs) are selected as light energy conversion components. Graphitic carbon nitride (g-C3N4) is used as the main material of the catalyst. Agar/CDs/g-C3N4-functionalized aerogel with a unique 3D pore structure is assembled. The Agar/CDs/g-C3N4 aerogel shows the highest photocurrent density, which is 3.7 times that of agar, 2.4 times that of 3-g-C3N4 and 1.6 times that of Agar/g-C3N4 aerogel. Compared with 3-g-C3N4 and Agar/g-C3N4 aerogel, which can completely remove AMX after 75 min, Agar/CDs/g-C3N4 aerogel can degrade amoxicillin (AMX) completely after 45 min of illumination. The reason is that Agar/CDs/g-C3N4 aerogel has a larger specific surface area, richer functional groups, a wider spectral range, higher photocurrent density and better carrier migration and separation efficiency. It is a good strategy with which to combine the effects of each component in the ternary system for the efficient photocatalysis of organic pollutants. Full article
(This article belongs to the Special Issue Functionalized Gels for Environmental Applications (2nd Edition))
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