• Resources Recycling
• /
• v.31 no.1
• /
• pp.46-55
• /
• 2022

The recycling of coated cemented carbide scraps is becoming increasingly significant for the recovery of rare metals. However, coatings consisting of Group IV and V transition metal nitrides are one of the challenging factors in obtaining high-purity materials. We investigated the structural, elastic, and mechanical properties of Group IV and V transition-metal nitrides (TiN, VN, ZrN, NbN, HfN, and TaN) using first-principle calculations. Convergence tests were performed to obtain reliable calculated results. The equilibrium structures of the nitrides were in good agreement with those of a previous study, indicating the reliability of the data. Group IV transition metal nitrides show a higher covalent bonding nature. Thus, they exhibit a higher degree of brittleness than that of Group V transition metal nitrides. In contrast, Group V transition metal nitrides show weaker resistance to shear loading and more ductile behavior than Group IV transition metal nitrides because of the metallic bonds characterized by valence electron concentration. The results of the crystal orbital Hamilton population analysis showed good agreement with the shear resistance tendencies of all transition metal nitrides.

• Journal of Powder Materials
• /
• v.28 no.2
• /
• pp.150-163
• /
• 2021

Interest in eco-friendly materials with high efficiencies is increasing significantly as science and technology undergo a paradigm shift toward environment-friendly and sustainable development. MXenes, a class of two-dimensional inorganic compounds, are generally defined as transition metal carbides or nitrides composed of few-atoms-thick layers with functional groups. Recently MXenes, because of their desirable electrical, thermal, and mechanical properties that emerge from conductive layered structures with tunable surface terminations, have garnered significant attention as promising candidates for energy storage applications (e.g., supercapacitors and electrode materials for Li-ion batteries), water purification, and gas sensors. In this review, we introduce MXenes and describe their properties and research trends by classifying them into two main categories: transition metal carbides and nitrides, including Ti-based MXenes, Mo-based MXenes, and Nb-based MXenes.

• Korean Journal of Materials Research
• /
• v.16 no.8
• /
• pp.473-478
• /
• 2006

The coherent interface energies and misfit strain energies of Fe/XN (X=Ti, Zr, Hf) systems were calculated by first principles method. The interface energies in Fe/TiN, Fe/ZrN and Fe/HfN systems were 0.343, 0.114, and 0.030 $J/m^2$, respectively. Influence of bond energy was estimated using the discrete lattice plane/nearest neighbor broken bond(DLP/NNBB) model. It was found that the dependence of interface energy on the type of nitride was closely related to changes of the bond energies between Fe, X and N atoms before and after formation of the Fe/XN interfaces. The misfit strain energies in Fe/TiN, Fe/ZrN, and Fe/HfN systems were 0.239, 1.229, and 0.955 eV per 16 atoms(Fe; 8 atoms and XN; 8 atoms). More misfit strain energy was generated as the difference of lattice parameters between the bulk Fe and the bulk XNs increased.

• Composites Research
• /
• v.32 no.5
• /
• pp.296-300
• /
• 2019

Two dimensional transition metal carbides and/or nitrides, known as MXenes, are a promising electrode material in energy storage due to their excellent electrical conductivity, outstanding electrochemical performance, and abundant functional groups on the surface. Use of $Ti_3C_2$ as electrode material has significantly enhanced electrochemical performance by providing more chemically active interfaces, short ion-diffusion lengths, and improved charge transport kinetics. Here, we reports the efficient method to synthesize $Ti_3C_2$ from MAX phase, and opens new avenues for developing MXene based electrode materials for Lithium-Ion batteries.

• Journal of the Korean Ceramic Society
• /
• v.54 no.1
• /
• pp.33-37
• /
• 2017

Single phase niobium nitride (NbN) coatings were deposited using asymmetric bipolar pulsed dc sputtering by varying pulse frequency and duty cycle of pulsed plasmas. Crystal structure, microstructure, morphology and mechanical properties were examined using XRD, FE-SEM, AFM and nanoindentation. Upon increasing pulse frequencies and decreasing duty cycles, the coating morphology was changed from a pyramidal-shaped columnar structure to a round-shaped dense structure with finer grains. Asymmetric bipolar pulsed dc sputtered NbN coatings deposited at pulse frequency of 25 kHz is characterized by higher hardness up to 17.4 GPa, elastic modulus up to 193.9 GPa, residual compressive stress and a smaller grain size down to 27.5 nm compared with dc sputtered NbN coatings at pulse frequency of 0 kHz. The results suggest that the asymmetric bipolar pulsed dc sputtering technique is very beneficial to reactive deposition of transition-metal nitrides such as NbN coatings.

• Advances in nano research
• /
• v.13 no.3
• /
• pp.259-267
• /
• 2022

Two-dimensional (2D) transition metal carbides/nitrides or "MXenes" belong to a diverse-class of layered compounds, which offer composition- and electric-field-tunable electrical and physical properties. Although the majority of the MXenes, including Ti₃C₂T_x, are metallic, they typically show semiconductor-like behaviour in their percolated thin-film structure; this is also the most common structure used for fundamental studies and prototype device development of MXene. Magnetoconductance studies of thin-film MXenes are central to understanding their electronic transport properties and charge carrier dynamics, and also to evaluate their potential for spin-tronics and magnetoelectronics. Since MXenes are produced through solution processing, it is desirable to develop deposition strategies such as inkjet-printing to enable scale-up production with intricate structures/networks. Here, we systematically investigate the extrinsic negative magnetoconductance of inkjetprinted Ti₃C₂T_x MXene thin-films and report a crossover from weak anti-localization (WAL) to weak localization (WL) near 2.5K. The crossover from WAL to WL is consistent with strong, extrinsic, spin-orbit coupling, a key property for active control of spin currents in spin-orbitronic devices. From WAL/WL magnetoconductance analysis, we estimate that the printed MXene thin-film has a spin orbit coupling field of up to 0.84 T at 1.9 K. Our results and analyses offer a deeper understanding into microscopic charge carrier transport in Ti₃C₂T_x, revealing promising properties for printed, flexible, electronic and spinorbitronic device applications.

• Composites Research
• /
• v.32 no.6
• /
• pp.355-359
• /
• 2019

The high efficient water splitting system should involve the reduction of high overpotential value, which was enhanced by the electrocatalytic reaction efficiency of catalysts, during the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) reaction, respectively. Among them, transition metal-based compounds (oxides, sulfides, phosphides, and nitrides) are attracting attention as catalyst materials to replace noble metals that are currently commercially available. Herein, we synthesized optimal monodisperse Co₃[Co(CN)₆]₂ PBAs by FESEM, and confirmed crystallinity by XRD and FT-IR, and thermal behavior of PBAs via TG-DTA. Also, we synthesized monodispersed Co₃O₄ nanocubes by calcination of Co₃[Co(CN)₆]₂ PBAs, confirmed the crystallinity by XRD, and proceeded OER measurement. Finally, the synthesized Co₃O₄ nanocubes showed a low overpotential of 312 mV at a current density of 10 mA·cm^-2 with a low Tafel plot (96.6 mV·dec^-1).

• Clean Technology
• /
• v.24 no.1
• /
• pp.9-14
• /
• 2018

In this study, Material life cycle evaluation was performed to analyze the environmental impact characteristics of TiN-Zr membrane manufacturing process. The software of MLCA was Gabi. Through this, environmental impact assessment was performed for each process. Transition metal nitrides have been researched extensively because of their properties. Among these, TiN has the most attention. TiN is a ceramic materials which possess the good combination of physical and chemical properties, such as high melting point, high hardness, and relatively low specific gravity, high wear resistance and high corrosion resistance. With these properties, TiN plays an important role in functional materials for application in separation hydrogen from fossil fuel. Precursor TiN was synthesized by sol-gel method and zirconium was coated by ball mill method. The metallurgical, physical and thermodynamic characteristics of the membranes were analyzed by using Scanning Electron Microscope (SEM), Energy Dispersive X-ray (EDS), X-ray Diffraction (XRD), Thermo Gravimetry/Differential Thermal Analysis (TG/DTA), Brunauer, Emmett, Teller (BET) and Gas Chromatograph System (GP). As a result of characterization and normalization, environmental impacts were 94% in MAETP (Marine Aquatic Ecotoxicity), 2% FAETP (Freshwater Aquatic Ecotoxicity), 2% HTP (Human Toxicity Potential). TiN fabrication process appears to have a direct or indirect impact on the human body. It is believed that the greatest impact that HTP can have on human is the carcinogenic properties. This shows that electricity use has a great influence on ecosystem impact. TiN-Zr was analyzed in Eco-Indicator '99 (EI99) and CML 2001 methodology.