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A new ternary compound, Mg11-xZnxSr in the Mg-Zn-Sr system was observed and studied using Scanning Electron Microscopy (SEM), Energy-Dispersive Spectroscope (EDS), X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM). The XRD patterns were refined by the Rietveld refinement method and the results revealed that the crystallized Mg11-xZnxSr phase belonged to tetragonal I41/amd space group and had the Cd11Ba prototype. The Mg atoms were successfully doped into Zn11Sr crystal lattice by occupying Zn atomic sites. Moreover, the Rietveld refinement and computational results demonstrated a gradual decrease in the a-axis and c-axis lattice parameters with decreasing concentration levels of Mg coordination substitution in the lattice of Mg11-xZnxSr compound. The elastic constants and modulus of the Mg11-xZnxSr compounds calculated by first-principles calculations (FPC) indicated they were increased with the increasing of Zn content. The variation of hardness, d -band widths and the total density of states for Mg11-xZnxSr compounds with Zn content was discussed.

The long-period stacking ordered phases (LPSOs) in Mg−Ni−Y system have been attracting great interest as effective strengthening components because of their unique structural characteristics and deformation mechanism. However, the phase relationships in LPSOs are complicated and unclear, which restricts the design of advanced magnesium-based alloys. The aim of the present work is to experimentally determine the phase equilibria relationships focusing on LPSOs and establish the thermodynamic description for Mg−Ni−Y system. Four types of LPSOs, that is, 14H, 12R, 18R and 10H, are confirmed through equilibrated alloys and high-resolution transmission electron microscopy (HR-TEM). The formation enthalpies of LPSOs (14H, 12R, 18R and 10H) are calculated based on density functional theories (DFT) calculations. A new ternary compound, termed as τ phase, is observed for the first time which is likely to be the distorted structure of 12R as determined from the TEM image which shows a 12-layer closed packing plane distance of 3.252 nm and a shear angle of 83.2° between (0002) and (10 1 ¯ 0) planes. Based on the determined phase equilibria relationship, the Mg−Ni−Y system is assessed and a self-consistent description is obtained where the LPSOs are modeled as the stoichiometric compounds. The comparison between the calculation result and experimental data suggests the accuracy of the present thermodynamic database in the Mg-rich corner.

The phase equilibria of the Mg–Ag–Cu ternary system at 350 and 400 °C were experimentally investigated using twenty-eight key samples. The phase equilibria and compositions in key samples were investigated using scanning electron microscopy (SEM) equipped with energy-dispersive spectroscopy (EDS). Powder X-ray diffraction (XRD) technique was used to analyze the crystal structure and solid solubility of compounds. Five three-phase equilibria and several two-phase equilibria have been determined at 350 and 400 °C. The solid solubility range of Cu in the compounds Mg3Ag, MgAg and fcc(Ag) were examined at 350 and 400 °C. The maximum solid solubility of Ag in the compound MgCu2 was found to be 11.46 at.% and 11.25 at.% with a constant value of about 66 at.% Cu at 350 and 400 °C, respectively. Besides, the solid solubility limits of Ag in the compounds Mg2Cu and fcc(Cu) were found to be less than 5 at.% at 350 and 400 °C. No ternary compound was observed in the present work.

Bismuth antimony telluride (Bi0.5Sb1.5Te3) is a ternary compound with good thermoelectric properties at near room temperature. In this research, Bi0.5Sb1.5Te3 powders were hydrothermally synthesized at different temperatures (100, 150, 190, and 230°C) for 24 h. The deposition procedure of Bi0.5Sb1.5Te3 thin films was done by using thermal evaporation. The phases and microstructures of powders and thin films were investigated by x-ray diffraction and field emission scanning electron microscopy. Moreover, the size distribution of powders was investigated using a particle size analyzer. The phase and microstructural results of the different synthesized powders confirmed that the Bi0.5Sb1.5Te3 thin film prepared by powder synthesis at 150°C for 24 h is the best choice for manufacturing with good thermoelectric properties because of its nano-sized grains and high purity. The results showed that the Bi0.5Sb1.5Te3 thin film fabricated by powders synthesized at 150°C has a single rhombohedral phase with a good semiconductor performance. The results of thermoelectric tests confirmed that the Bi0.5Sb1.5Te3 thin film fabricated using a hydrothermal method and thermal evaporation deposition approach shows a high Seebeck coefficient (183.5 μV/K) and low electronic thermal conductivity (1.32 × 10−4 W/m k−1) at 298 K. Besides, the power factor values of 0.7, 2.59 and 2.9 μW/cm K−2 were obtained at 298, 373 K and 473 K, respectively.

Thermodynamic assessment of the ternary system B-Hf-Zr has been conducted by modeling the Gibbs energy of all individual phases using the CALPHAD (CALculation of PHAse Diagrams) approach. There is no ternary compound in this system. The individual solution phases, i.e., liquid, (βHf,βZr), HfB and (Hf,Zr)B2 have been modeled. The modeling covers the whole composition and temperature ranges. The Gibbs energies of HfB2 and HfB in the B-Hf system were reassessed using the two-sublattice models (B,Hf)1(B,Hf)2 and (Hf)1(B,Hf)1, respectively. A set of self-consistent thermodynamic parameters for the B-Hf-Zr system was obtained by considering the phase diagram data in the ternary system. Comprehensive comparisons between the calculated and measured phase diagram and thermodynamic data show that the experimental information was satisfactorily accounted for by the present thermodynamic description. The liquidus projection and reaction scheme of the B-Hf-Zr system are also presented.

Herein, we explore a general Cu2-x S nanocube template-assisted and reverse cation exchange-mediated growth strategy for fabricating hollow multinary metal sulfide. Unlike the traditional cation exchange method controlled by the metal sulfide constant, the introduction of tri-n-butylphosphine (TBP) can reverse cation exchange to give a series of hollow metal sulfides. A variety of hollow multinary metal sulfide cubic nanostructures has been demonstrated while preserving anisotropic shapes to the as-synthesized templates, including binary compounds (CdS, ZnS, Ag2 S, PbS, SnS), ternary compound (CuInS2 , Znx Cd1-x S), and quaternary compound (single-atom platinum anchored Znx Cd1-x S; Znx Cd1-x S-Pt1 ). Experimental and density functional theory (DFT) calculations show that the hollow metal sulfide semiconductors obtained could significantly improve the separation and migration of photogenerated electron-hole pairs. Owing to the efficient charge transfer, the Znx Cd1-x S-Pt1 exhibited outstanding photocatalytic performance of CO2 to CO, with the highest CO generation rate of 75.31 μmol h-1 .

The effects of joining temperature (TJ) and time (tJ) on microstructure of the transient liquid phase (TLP) bonding of GTD-111 superalloy were investigated. The bonding process was applied using BNi-3 filler at temperatures of 1080, 1120, and 1160 °C for isothermal solidification time of 195, 135, and 90 min, respectively. Homogenization heat treatment was also applied to all of the joints. The results show that intermetallic and eutectic compounds such as Ni-rich borides, Ni−B−Si ternary compound and eutectic-γ continuously are formed in the joint region during cooling. By increasing tJ, intermetallic phases are firstly reduced and eventually eliminated and isothermal solidification is completed as well. With the increase of the holding time at all of the three bonding temperatures, the thickness of the athermally solidified zone (ASZ) and the volume fraction of precipitates in the bonding area decrease and the width of the diffusion affected zone (DAZ) increases. Similar results are also obtained by increasing TJ from 1080 to 1160 °C at tJ=90 min. Furthermore, increasing the TJ from 1080 to 1160 °C leads to the faster elimination of intermetallic phases from the ASZ. However, these phases are again observed in the joint region at 1180 °C. It is observed that by increasing the bonding temperature, the bonding width and the rate of dissolution of the base metal increase. Based on these results, increasing the homogenization time from 180 to 300 min leads to the elimination of boride precipitates in the DAZ and a high uniformity of the concentration of alloying elements in the joint region and the base metal.

Cd1−xZnxTe (CZT)-based matrices have highest absorption capabilities and tunable band gap, so it can be utilized as the central most significant photon absorption layer. In this research, we have briefly investigated the effect of annealing dynamics over the phosphorus ion (P+) implanted Cd1−xZnxTe on different stoichiometric ratios. The P+ ions are introduced at 800 keV in order to tailor/tune the electro-optical characteristics of said ternary compound matrix for its utilization as an active medium in photovoltaic and related application. In this specific study, the annealing dynamics of P+ implanted Cd1−xZnxTe scheme have been studied, and three temperature ranges were chosen ~ 300, 350, and 400 °C for such purpose. The impact of annealing behavior has been envisaged by electrical and electro-optical characterization techniques, i.e., current–voltage (I–V), activation energy, charge-based deep-level transient spectroscopy (Q-DLTS) and transient of photo-voltage (TPV). From Q-DLTS study, one has obtained different defect levels that may limit the overall performance of the as-implant CZT matrix. By adopting RTA process, the damage content in form of trap levels has shifted themselves near premises to their respective band edges i.e., for as-implant cases, the trap level placed near the Fermi level and when the RTA process subjected the trap levels localized themselves to the close proximity to either of its band edge (valance/conduction level), e.g., the trap level of CdTe shift from 0.123 to 0.005 eV, i.e., near the valance band edge which may enhance the trap characteristics. Also, the activation energy and transient of photo-voltage analysis direct the physical importance of RTA process because this process may provide significant increase of carrier’s generation by reduction in activation energy and elevation of photo-voltage by utilizing the appropriate annealing sequence to subject CZT crystal. The TPV analysis of Cd0.75Zn0.25Te sample shows higher extent of physical voltages ~ 63 mV at 400 °C annealing sequences, whereas for as-implant case provides just ~ 10 mV.

In this work, the use of Cd1-xZnxS ternary compound as an alternative ETL layer to CdS in solar cells with FTO/CdS/Sb2(Se1-xSx)3/spiro-OMeTAD/Au structure is evaluated for the first time. Numerical calculations on Sb2(Se1-xSx)3 solar cells with CdS and Cd1-xZnxS as ETL layers are performed for comparison. Experimental data reported for CdS/Sb2(Se1-xSx)3 solar cell are reproduced with good agreement, thereby validating our model. A solar cell efficiency enhancement from 10.0% to 13.3% is found with the use of a Cd1-xZnxS layer with a Zn concentration of 0.4 and a thickness of 70 nm. The impact of defects at Cd1-xZnxS/Sb2(Se1-xSx)3 and Sb2(Se1-xSx)3/spiro-OMeTAD interfaces and Sb2(Se1-xSx)3 bulk on solar cell behavior is evaluated. In particular, we found that defects at Cd1-xZnxS/Sb2(Se1-xSx)3 interface stand as the main limiting factor of this technology. Finally, an efficiency of 14.8% is demonstrated with the reduction of interface defects to values of about 1011 cm−2. Under this condition, more attention should be paid to reducing the effect of series and shunt resistances in order to increase solar cell efficiency from 14.8% to 17.4%.

The increasing demand for lithium-ion batteries has stimulated the investigation of new compounds in order to reduce the costs and the toxicity of their cathodes. Materials constituted of ternary lithiated oxide compounds are a successful alternative to cobalt-rich cathodes. The main disadvantage of ternary compound materials (TCM) is that the maximum amount of electrical charge is only achieved at high redox potentials, a limiting factor if we consider the current development in electrolyte technology. In this work, we investigated the influence of sputtering deposition parameters on the charge capacity of TCM thin films, restraining their electrochemical potential to conventional values. To do so, we analyzed the impact that small changes in crystalline and morphological structures have on the charge capacity at low cell potentials. For this, we performed the RF magnetron sputtering of TCM thin films, and carried out a factorial design of experiments to investigate their electrochemical properties, while limiting the charging potential to 4.20 V vs. Li|Li+. The films were deposited onto a rigid and conductive substrate with different parameters (power and pressure at room temperature). Electrochemical results showed that the discharge capacity is strongly influenced by the deposition parameters, reaching 250 mAh g− 1 even at 4.20 V vs. Li. This value is superior to the ones of the conventional cobalt cathode and the bulk ternary electrode. Both deposition parameters exhibited a synergic dependency, which means that they need to be simultaneously varied for a response optimization. The discharge capacity of the analyzed samples was highly affected by the surface morphology of the film and its crystallographic properties, and not by its elemental composition. High discharge capacity was obtained without additional thermal treatments, which favors the manufacture of films over polymeric substrates for future electronic applications.

Desulfurization ability and hydration resistance of CaO-MgO mixture were studied by comparing CaO-MgO, CaO and MgO rods. In desulfurization experiment, Ni-base superalloy and NiS powder were melted together, and each rod was held in the melt for a prescribed time under 1600 °C. S content in the alloy was lower in CaO-MgO desulfurization than that in CaO desulfurization in every holding time up to 300 seconds. Almost no desulfurization effect was confirmed in MgO. From EPMA and XRD analyses, it is considered that CaO-Al2O3-MgO ternary compound and CaS were generated and coexisted in the CaO-MgO rod during the desulfurization process. In the CaO-MgO desulfurization, the compound contained MgO as its component, and that decreased the liquidus temperature of the compound. Therefore, it is considered that the fraction of liquid increased, and the effective diffusion coefficient of S in the compound was larger than in the CaO desulfurization. In hydration experiment, each rod was maintained in an enclosed vessel with weighing paper and a cup with water for a certain period. The mass increasing ratio of the CaO-MgO was almost equal to that of the CaO. From the above, it is clear that CaO-MgO is a better desulfurization agent than CaO.

Ternary compound semiconductor Cu3BiS3 has been perceived as a potential candidate of solar absorber materials in recent years, due to the low–toxic and earth–abundant component elements as well as excellent optoelectronic properties. However, the fundamental properties vital for Cu3BiS3 photovoltaic device have not been fully explored and the efficiency is still at an extremely low level. Herein, a cation doping strategy was introduced during preparing Cu3BiS3 absorber layers to optimize the material properties and thereby improve the device performances. Basing on a one-step solution method, the effects of Ag doping on the structural, optical, electrical and photovoltaic behaviors of Cu3BiS3 film were investigated in detail. Our results demonstrate that appropriate Ag doping can enlarge the grain size, improve the film compactness, enhance the light absorption, broaden the band gap and increase the carrier concentration of absorber layer. As a result, the photovoltaic performance is also evidently promoted, achieving a highest efficiency improvement of ~85% relative to the undoped Cu3BiS3 solar cell device. Higher Ag incorporation, however, causes phase separation and dramatically deteriorates the absorber properties.

Surface vacancies, serving as the activation centers for surface-adsorbed species, have been widely applied in catalysts to improve their activity and selectivity. In the case of ternary compound semiconductors, there is some controversy about exposed atoms and surface defects. Two-dimensional layered BiOCl is an important photocatalyst, which has had numerous studies focused on its oxygen vacancy (OV) and bismuth vacancy (BiV). It has been realized that its (001) surface can consist of exposed halogen atoms rather than oxygen atoms, which thus needs a new explanation for its surface defect engineering mechanism. Using first-principles calculations, the activation behavior of NOX (NO2, NO, N2O) at a chlorine vacancy (ClV) on the BiOCl (001) surface is systematically studied. It is found that after introducing ClV on BiOCl (001) surfaces, NOX molecules all show excellent activities with longer chemical bonds by capturing electrons from the catalyst. Our work furnishes fundamental insight into the activation of small molecules on defect-rich surfaces of ternary compound catalysts.

The present work includes the synthesis of zinc selenium telluride ZnSe1-xTex (0 ≤ x ≤ 1) ternary compound and its deposition in the form of thin films having thickness 200nm using thermal evaporat...

Demand for simple and effective gas sensing sensors is growing rapidly due to the growing threat of triethylamine (TEA). Semiconductor tin oxide (SnO2) is one of the most widely used sensing materials for metal oxide gas sensors. In recent years, a lot of binary ternary compound researches have been carried out. In this paper, five different SnO2 samples were synthesized by simple synthesis method to understand the internal relationship and obtain different gas sensing characteristics. Based on the low temperature nitrogen adsorption tests and the atomic arrangement model, it can be inferred that different exposed surfaces play a key role in TEA sensing properties. In addition, the TEA sensing activity relationship of SnO2 exposed crystal faces is proposed as listed: (200) > (101) > (110).

The magnesium-rich intermetallic ternary compound NdNiMg15 in space group P-4/nmm (no. 26) space group in trigonal phase is studied theoretically using hybrid functional theory (HP-B3PW91) in the density functional theory (DFT) framework. The calculation results are in good agreement with experimental data. The metallic nature of the compound is estimated from the electronic properties. The magnetic as well as metallic character of the compound is due to the Nd 4f electrons. The title compound exhibits good conductivity as revealed by the thermoelectric analysis. The magnetic phase of the material indicates its stability within the G-type antiferromagnetic phase (G-AFM), governed by direct Nd–Nd exchange interactions with a magnetic moment of 3.57µB/Nd per unit cell. The AFM phase of the studied compound is also confirmed by post-DFT measurements at TN = 8.15 K as well as θ = −2.5 K. The antiferromagnetic nature of this compound could enable its use in magnetic probes to read data stored in antiferromagnetic moments while leaving them unaffected by disturbing magnetic fields.

A new ternary compound, Al2Fe3Nd, was prepared via arc melting using a non-consumable tungsten electrode under an argon atmosphere with subsequent annealing at 923 K for 30 days. Its crystal structure was determined using the Rietveld refinement of powder X-ray diffraction data. The results show that Al2Fe3Nd has a hexagonal structure in a space group of P6/mmm (No. 191). It is isostructural with the Al2.5Ni2.5Y compound. It has lattice parameters of a = 8.8625(3) Ǻ and c = 4.1475(2) Ǻ with a calculated density Dcalc = 6.460 g/cm3. The residual factors converge to Rp = 0.0946 and Rwp = 0.1214. In the temperature range of 2–500 K, magnetic susceptibility has been measured. The magnetic susceptibility of Al2Fe3Nd follows the Curie–Weiss law in the temperature range of 410–500 K. The effective magnetic moment μeff and paramagnetic Curie temperature θP were estimated to be 8.59 μB and 399.8 K, respectively. The saturation magnetic moment and magnetic hysteresis loop for the compound were measured under room- and low-temperature conditions. The measurements indicate that the saturation magnetization moment declines with increasing temperature, and the compound is ferrimagnetic in the analytical temperature range of 2–300 K.

An ultra-high temperature composite with superior mechanical characteristics was developed using zirconium diboride (ZrB2, 60% by volume), silicon carbide (SiC, 30% by volume), and tantalum carbide (TaC, 10% by volume), and its microstructure characteristics and mechanical properties were obtained experimentally by nanoindentation testing, X-ray diffraction, field emission scanning electron microscopy, X-ray fluorescence analysis, and X-ray photoelectron spectroscopy. Oxide contamination was eliminated, and the ceramic was densified to achieve a fully-dense ternary compound. To assess its performance in a typical real-world application, a finite element analysis was performed using the commercially available ABAQUS package for a one-bay one-story steel frame in which the prepared ceramic was used for the beam–column joint reinforcement end-plates; a good agreement was found with the results reported in the literature for comparable structures. The performance of a steel frame with a plate prepared from functionally graded materials located at the beam–column joint was then modeled in ABAQUS and subjected to the conditions recorded during a 1940 earthquake with a magnitude of 7.7. The results show that the utilized ceramic significantly enhanced the structural behavior of the reinforced concrete frame, confirming its potential utility in a wide range of industrial, structural, and medical applications.

Zinc tin phosphide (ZTP) has attracted recent research interest as a low-cost light sensing material, alternative to III–V and II–III-based compounds, for photo-detector and solar cell applications. In this study, a versatile chemical route for the synthesis of ZTP nanoparticles starting from commercially available alkyl-zinc and tin, alkyl-phosphoramides and trioctylphosphine at a relatively low temperature of 160 °C is reported, which can straightforwardly be extended to other analogous II–IV-P2 group ternary compounds. The particles displayed high stability and can be deposited as layers with few monolayers of thickness. The structural and chemical analysis revealed that the particles are of sub-10 nm size with chalcopyrite structure and ZnSn-phosphide composition. The particles exhibited optical band-gap in the range of 1.65–1.75 eV and a broadband photo-response in the visible wavelengths (400–700 nm) with excellent response to red light.

Research on photovoltaic solar cells has always been exciting due to its clean and green nature. However, the quest for alternative approaches to the design of highly efficient solar cells with optimal cost-efficiency ratios has also been progressing. CuSbS2-based ternary compound semiconductor is a promising candidate for the ultrathin film photovoltaic cell due to the high absorption coefficient, low cost, and earth abundant which makes it suitable to use as a thin-film absorber layer. The impact of various parameters such as thickness, bandgap, band alignment, temperature, carrier concentration, and bandgap grading has been studied to optimize the overall performance of the solar device. In present work, we have adopted the Solar Cell Capacitance Simulator in One Dimension (SCAPS-1D) simulation approach to the design of CuSbS2 absorber-based solar heterostructure cells to boost the electrical properties of the solar cell.

Dark current is the main factor that influences photodiode performance. It should be minimal to reduce noise and ensure a high level of photoelectric parameters. In order to identify the predominant causes of generation–recombination in photodiodes based on a mercury–cadmium–tellurium (MCT) ternary compound in the given voltage range, a calculation model is proposed for dark currents caused by fundamental and other current mechanisms. The components of dark current in photodiodes based on MCT heterostructures grown by molecular beam epitaxy (MBE) and liquid-phase epitaxy (LPE) methods are determined in the reverse bias voltages range from 0 to 40 mV. In the range from 0 to 20 mV, these characteristics are reduced to the diffusion component. When the reverse bias voltage exceeds 30 mV, an increase in the Shockley–Read–Hall (SRH) generation–recombination current and tunneling current through trap levels in the band gap is observed.

Fundamental thermodynamic properties of the synthetic analog of the famatinite mineral - Cu3SbS4 were studied on the basis of electromotive force (EMF) measurements. The EMF of the concentration chains relative to the Cu electrode with a solid electrolyte was measured for the alloys from the Cu3SbS4 + Sb2S3 + S phase region at 300-380K temperature interval. Based on measurement data, the relative partial thermodynamic functions of copper in alloys, the standard thermodynamic functions of formation, as well as, the standard entropy of the Cu3SbS4 ternary compound were calculated for the first time.

A ternary compound of Li6NiNb2O9 with a rock-salt structure was prepared by the conventional mixed oxide route, and after the ceramic preparation processes, its microwave dielectric properties were investigated. Ceramics with a single phase and a rock-salt crystal structure can be obtained under our optimized sintering conditions, and a disordered rock-salt structure for Li6NiNb2O9 compound can be confirmed by the Rietveld method. Relatively dense microstructures can be obtained under the sintering conditions of 1080°C/2.0 h, with microwave dielectric properties of e = 13.5, Q × f = 20,600 GHz (9.4 GHz) and τf = −33.9 ppm/°C. Although decomposition of such phase occurred when high sintering temperature was applied (> 1100°C), the density and microwave dielectric properties of the ceramics showed anomalous increases.

Phase equilibria during solidification in the Al-Cr-Co system in the range of compositions 0-70 at.% Al were studied using optical microscopy, scanning electron microscopy, electron probe microanalysis, differential thermal analysis and x-ray diffraction. Solidus and liquidus surfaces, a melting diagram as their superposition, a Scheil diagram for solidification, as well as series of isopleths were constructed for the first time. Solid solutions based on Cr, αCo, Cr5Al8 (γ3 and γ1 phases), CoAl, Co2Al5 binary compounds and the ternary compound τ5 take part in phase equilibria. The monoclinic ternary compound τ5 forms by peritectic reaction L + γ1 + Co2Al5 ↔ τ5 at 1065 °C. Four invariant four–phase reactions and one invariant three–phase reaction involving liquid take place at 1280, 1175, 1110, 1065 and about 1480 °C, respectively. Isopleths 10, 20, 30 and 40 at.% Al as well as 40 at.% Cr demonstrate peculiarities of the phase diagram.

The isothermal sections of the Al–Cr–Ta ternary system at 1000 and 1200 °C have been determined by means of electron probe microanalysis and x-ray diffraction. The results show that eleven and nine three-phase regions are determined in the isothermal sections at 1000 °C and 1200 °C, respectively. No ternary compound exists at both two isothermal sections. The addition of Cr makes the Al69Ta39 phase be stable at 1000 °C. The Cr2Ta(HT) phase has a large composition range at both two isothermal sections. The experimental information obtained in the present work could be significant for alloy design and the complement of the thermodynamic database.

The 450 and 600 °C isothermal sections of the Ni-V-Zn ternary system have been investigated through Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and x-ray Diffraction (XRD) technique. Eight three-phase regions have been confirmed at the 450 °C section and nine three-phase regions exist at the 600 °C one. Experimental results indicate that it is difficult for Ni to dissolve in VZn3 and V4Zn5. The solid solubilities of V in γ(Ni2Zn11) and β1(NiZn) are 1.4 and 3.7 at.% at 450 °C, respectively, while V in γ and β1 are 2.5 and 4.0 at.% at 600 °C, respectively. The solid solubilities of Zn in Ni2V7, σ(Ni2V3), Ni2V and Ni3V are 0.5, 4.7, 2.3 and 2.6 at.% at 450 °C as well as 0.5, 9.5, 2.2 and 2.8 at.% at 600 °C, respectively. No ternary compound has been found in this work.

In this study, the ternary phase diagram of the Tc–Al–B system is constructed by a combination of an evolutionary algorithm and density functional theory calculations. Four novel phases are predicted, including three binary compounds (P Al7B15, Cmcm TcAl2, and C2 TcAl3) and one ternary compound (Cmmm Tc2AlB2). All predicted structures are mechanically, dynamically, and thermodynamically stable. Among the predicted phases, P Al7B15 resembles the experimental structure of Al0.93B2 and Cmmm Tc2AlB2 corresponds to the 212-type MAB phase. Due to the in- and out-of-plane anisotropic chemical bonding in Cmmm Tc2AlB2, a tetragonal two-dimensional (2D) Tc2B2 structure could be possibly exfoliated by chemical removal of Al atoms. The electronic structure calculations indicate that the 2D Tc2B2 structure and its potential layered precursors are all metallic. Furthermore, the chemical reactivity of H, F, O and, OH ligands with the 2D Tc2B2 surface is studied and the associated 2D surface-functionalized Tc2B2 derivatives are found to be metallic. It is revealed that the F and O functional groups strengthen the surface atomic layer of 2D Tc2B2 and enhance the Young's moduli.

Obtaining a stable Cr3+ phase at higher temperatures in the presence of hydraulic calcium aluminates (the phases found in calcium aluminate cement, CAC) in the Al2O3–CaO–Cr2O3 system remains a significant challenge in many application areas, as the formation of toxic, carcinogenic, and water-soluble Cr6+ compounds often occur. To address the issue, recently, we synthesized a high-temperature stable Cr3+ ternary compound (CaAl2Cr2O7) with space group P3 (143). In the present work, we investigated the formation-stability of CaAl2Cr2O7 with in-situ calcium aluminate phases at 1500 °C under the CO2 atmosphere in the Al2O3–CaO–Cr2O3 system through solid-oxide reactions route varying Cr2O3 content (at constant Al2O3:CaO ratio). It co-existed with hydraulic calcium aluminates and other phases over the full investigated composition range of 2.76–68.3 mol% Cr2O3 (5–80 wt%). Apart from CAC phases (CaAl2O4, CaAl4O7), major Cr3+-phases are CaAl2Cr2O7 and (Al,Cr)2O3 while (α,β)-CaCr2O4 and Ca(Al,Cr)12O19 formed as minor phases. At a constant Al2O3:CaO ratio of 5.6:4.4 mol% (7:3 wt%), the formation of the CaAl2Cr2O7 phase increases with Cr2O3 content (up to the investigated composition of 26.43 mol%) and then decreases gradually. The solid solubility of Al and Cr in the CaAl2Cr2O7 phase limited over a narrow range, and presumably dependent more on heat treatment condition rather than composition as reflected from the lattice parameter calculations. Though XRD revealed the presence of only Cr3+-phases in the partial CO2 atmosphere, however, traces of Cr6+ could be detected using XPS and leaching tests. However, leachable Cr6+ content (0.095–1.252 mg/L) were much below the United States Environmental Protection Agency (US-EPA) permissible limit of 5 mg/L. The formation mechanism of the CaAl2Cr2O7 and other phases with plausible reactions were also discussed.

Ternary compound CuSbSe2-alloyed PbTe, CumPb100SbmTe100Se2m (CLAST), presents outstanding n-type thermoelectric transport behavior and features hierarchical Cu-based precipitates and interstitials that can balance phonon and carrier transport. Results show that a small amount of CuSbSe2 (∼3%) alloying in CLAST can realize a room-temperature carrier concentration of ∼1.7 × 1018 cm−3 and then optimize the power factor, and simultaneously precipitate out embedded Cu-based nanostructures in the matrix to lower the lattice thermal conductivity. Additionally, extra Cu atoms adding in CLAST can form interstitials and further improve both the carrier concentration to ∼3.0 × 1018 cm−3 and carrier mobility to ∼1227.8 cm2 V−1 s−1 at room temperature, which benefits a maximum power factor of ∼20.0 μW cm−1 K−2 in Cu3.3Pb100Sb3Te100Se6. Moreover, the Cu interstitials together with massive Cu-based nanoprecipitates can strongly scatter a wide set of phonons, and largely lower the lattice thermal conductivity to ∼0.44 W m−1 K−1 in Cu3.4Pb100Sb3Te100Se6 at 623 K. Finally, these Cu-based hierarchical structures in CLAST samples can synergistically optimize the phonon and carrier transport properties and contribute to a high ZT of ∼0.5 at 300 K and a peak ZT of ∼1.4 at 723 K. A remarkably high ZTave of ∼0.94 at 300–723 K is achieved in Cu3.3Pb100Sb3Te100Se6 due to high ZT values in the low temperature range, outperforming other high-performance n-type PbTe-based thermoelectric materials.

Both electronic and ionic conductivities are of high importance to the performance of anode materials for Li-ion batteries. Many large capacity anode materials (such as Ge) do not have sufficiently high electronic and ionic conductivities required for high-rate cycling. Here, we report a novel ternary compound, copper germanium phosphide (CuGe2P3), as a high-rate anode. Being synthesized via a facile and scalable mechanochemistry method, CuGe2P3 has a cation-disordered sphalerite structure and offers higher ionic and electronic conductivities and better tolerance to volume change during cycling than Ge, as confirmed by first principles calculations and experimental characterization, including high-resolution synchrotron X-ray diffraction, HRTEM, SAED, XPS and Raman spectroscopy. Furthermore, the results suggest that CuGe2P3 has a reversible Li-storage mechanism of conversion reaction. When composited with graphite by virtue of a two-stage ball-milling process, the yolk–shell structure of the amorphous carbon-coated CuGe2P3 nanocomposite (CuGe2P3/C@Graphene) delivers a high initial coulombic efficiency (91%), a superior cycling stability (1312 mA h g−1 capacity after 600 cycles at 0.2 A g−1 and 876 mA h g−1 capacity after 1600 cycles at 2 A g−1), and an excellent rate capability (386 mA h g−1 capacity at 30 A g−1), surpassing most Ge-based anodes reported to date. Moreover, a series of cation-disordered new phases in the Cu(Zn)–Ge–P family with various cation ratios offer similar Li-storage properties, achieving high reversible capacities with high initial coulombic efficiencies and desirable redox chemistry with improved safety.

Motivated by the recent experimental discovery of high-temperature carbonaceous sulfur hydride (C–S–H), we have systematically explored the superconductivity of a carbonaceous lanthanum hydride (C–La–H) ternary compound in the pressure range of 50–250 GPa. Based on first-principles calculations and strong-coupling Migdal–Eliashberg theory, we find that a hitherto unreported LaC2H8 ternary system is dynamically and thermally stable above 70 GPa in a clathrate structure with space group Fmm and exhibits a superconducting critical temperature, Tc, in the range of 69–140 K.

Thermoelectric technologies allow the direct conversion of waste heat into electricity. A new strategy for finding promising thermoelectric materials is to study the phase diagrams of multicomponent systems. Analysis of recent investigations indicates high perceptivity of Cu 2 Se phase, due to abnormally low values of the thermal conductivity and high values of electrical conductivity. Other thermoelectric materials based on copper have attractive properties, such as: diamond-like compounds, argyrodites, oxiselenides, tetrahedron-type compounds and others. Due to this a more detailed investiation of the Cu–Sb–Se system are actually. An important step in the study of the system is the determination of quasi-binary sections by carrying out the triangulation. For this purpose, the quasi-binarity of sections in the ternary Cu–Sb–Se system at a temperature of 523 K was determined by X-ray diffraction analysis. Since the annealing temperature in the synthesis process is 523 K, six binary Cu 2 Se, CuSe, CuSe 2 , Cu1 .6 Sb 0.4 , Cu 2 Sb, Sb 2 Se 3 and three ternary compounds CuSbSe 2 , Cu 3 SbSe 3 , Cu 3 SbSe 4 took part in the triangulation of the system. Analysis of the early studies showed the presence of three quasi-binary sections in the Cu–Sb–Se system: Cu 2 Se – Cu 3 SbSe 3 , Cu 3 SbSe 3 – CuSbSe 2 and CuSbSe 2 – Sb 2 Se 3 , and the character of the remaining 12 sections requires experimental studies. The quasi-binary section of Cu 2 Se-Sb 2 Se 3 divides the general system of Cu-Sb-Se into two subsystems: Cu 2 Se-Sb 2 Se 3 -Se (30 intersection points) and Cu-Sb-Sb 2 Se 3 -Cu 2 Se (13 intersection points). To optimize the process of triangulation, it was decided to carry out it in stages: synthesis and study of the point in the most informative phase field with following separation and exclusion of quasi-binary and non-quasi-binary sections. Such approach makes it possible to reduce the number of syntheses and the number of used substances. Phase analysis was performed by comparing experimental and calculated from the literature powder patterns of phases present in the systems Cu 2 Se-Sb 2 Se 3 -Se and Cu-Sb-Sb 2 Se 3 -Cu 2 Se. The obtained results indicate that in the subsystem Cu 2 Se-Sb 2 Se 3 -Se has seven stable sections, all of which are based on the ternary compound Cu 3 SbSe 4 . In the Cu-Sb-Sb 2 Se 3 -Cu 2 Se subsystem, 5 quasi-binary sections are stable: three based on binary Cu 2 Se and two sections based on ternary compounds CuSbSe 2 and Cu 3 SbSe 3 .

This paper demonstrates a H2 S gas sensor based on Ag-MoSe2/reduced graphene oxide (rGO) ternary composite material via hydrothermal method was studied. The microstructures, morphologies and compositional characteristics of the Ag-MoSe2/rGO nanocomposite were completely tested by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), transmission electron microscope (TEM) and energy dispersive spectrometer (EDS). By exposing it to various concentrations of H2 S gas from 0.1 ppm to 30 ppm at room temperature, the gas sensing properties of the Ag-MoSe2/rGO sensor were examined. The experimental data indicated that the H2 S gas sensor has a high response, quite response-recovery performances, excellent selectivity and reproducibility toward H2 S gas. Moreover, the work also investigates the effect of Ag loading in the compound on the H2 S gas sensing. The sensing mechanism of the Ag-MoSe2/rGO film sensor can be attributed to the modulation of potential barrier with electron transfer and the synergistic effect of the ternary compound nanostructures. This paper shows that in diverse applications, the prepared Ag-MoSe2/rGO composite is a potential candidate for detecting H2 S gas at room temperature.

The thermodynamic modeling of the ternary system C-Cr-Zr has been obtained by modeling the Gibbs energy of all individual phases using the CALPHAD (CALculation of PHAse Diagrams) approach. There is no ternary compound in this system. The liquid is modeled as a substitutional solution phase, while the solid solution phases including ZrC, (αZr), (βCr), (βZr), Cr3C2, Cr7C3, Cr23C6, C14, C15 and C36 are described by sublattice models. The modeling covers the whole composition and temperature ranges. A set of self-consistent thermodynamic parameters for the C-Cr-Zr system is obtained by considering the phase diagram data in the ternary system. Comprehensive comparisons between the calculated and measured phase diagram and thermodynamic data show that the experimental information is satisfactorily accounted for by the present thermodynamic description. The liquidus projection and reaction scheme of the C-Cr-Zr system are also presented.

Cathodic electrodeposition technique has been successfully used to achieve the growth of polycrystalline CdMnTe ternary compound thin films at different cathodic potentials. The choice of various cathodic potentials used in this work was made from the cyclic voltammogram results. The CdMnTe thin films were electroplated from electrolytes containing CdSO4, TeO2 and MnSO4·H2O in an acidic aqueous medium. The electrodeposition was carried out on glass/fluorine-doped tin oxide {FTO} substrates. The structural, optical, morphological and electrical properties of the CdMnTe thin films were studied using X-ray diffraction (XRD), UV–Vis spectroscopy, scanning electron microscopy (SEM), current–voltage (I–V) characteristics and photo-electro-chemical (PEC) cell measurements respectively. The materials investigated in this work were explored under three different conditions namely: as-deposited (AD), heat-treated ordinarily in air (HT) and heat-treated in air in the presence of CdCl2 surface treatment (CC). Results from the XRD showed that the electrodeposited films are polycrystalline with the presence of CdTexOy and CdMnTe peaks. The electroplated films have cubic crystal structures and the preferred orientation was found to be along the (111) plane. The optical energy bandgaps of the thin films were found to be deposition potential dependent. Electrical conductivity types namely p- and n-type conductivity were also obtained at different cathodic potentials using photo-electro-chemical cell measurement technique for as-deposited and heat-treated materials.

The ternary compound Hf2B2Ir5 was assessed as an electrocatalyst for the oxygen evolution reaction (OER) in 0.1 M H2SO4 . The oxidative environment restructures the studied material in the near-surface region, creating cavities in which agglomerates of IrOx(OH)y(SO4)z particles are incorporated. These in situ generated particles result from the oxidation of secondary phases in the matrix as well as from self-controlled near-surface oxidation of the ternary compound itself. The oxidation is controlled by the structural and chemical bonding features of Hf2B2Ir5. The cage-like motif, exhibiting mostly ionic interactions between positively charged Hf atoms and a covalently bonded Ir–B network, selectively controls the extent and kinetics of the transformation process induced during the operation of the electrocatalyst. The resulting self-optimized composite material, formed by a Hf2B2Ir5 matrix surrounding IrOx(OH)y(SO4)z particles, was used in the OER over 240 h at 100 mA cm-2 current density. The chemical changes, as well as the OER performance, were studied via a combination of bulk- and surface-sensitive experimental techniques as well as by employing a quantum-chemical bonding analysis.

Equilibrated alloys were characterized using SEM/EDX and XRD methods to identify the Co-Nb-Ni phase equilibria at 1100 °C and 900 °C. The isothermal section at 1100 °C was re-constructed and the partial phase relationships at 900 °C were further validated. The crystal structure of the ternary compound τ was proved to be of the Mg3Cd type with Pearson symbol hP8 and space group P63/mmc. The addition of nickel can increase the phase stability of Co7Nb2. The Co-Nb, Ni-Nb, and Co-Nb-Ni systems were assessed using the CALPHAD (CALculation of PHAse Diagram) method. The present experimental and calculated results can be used as a reference for developing and designing Co/Ni-based intermetallics and superalloys.

The CdxMn1-xSe films (where 0 ≤ x ≤ 40 , a t % ) were synthesized by the chemical bath deposition for the prepared photoanodes in the quantum dot sensitized solar cells. Thus, the properties of ternary films as structure, optical properties, and electrical properties were investigated more details. The structure of the CdxMn1-xSe films was characterized using the X-ray diffraction, which indicated the zinc Blende structure corresponding to all samples. The optical properties of the CdxMn1-xSe films were illustrated by the experimental absorption spectra with different doping concentrations, which combined with the Tauc correlation to estimate the absorption density, the optical band gap, the valence band and conduction band positions in the ternary compound CdxMn1-xSe, steepness parameter and electron – phonon interaction. The result shows that the values of optical parameters were very sensitive to the doping concentration as a function composition. Generally, we have optimized the optical properties at 20%-Mn dopant. Moreover, we also studied the electrical properties of the CdxMn1-xSe from photocurrent density curves, which connected with the one J-V method to determine the Rs, RSH dynamic resistances. The recombination resistances, diffusion resistances in TiO2 layer, and TiO2/QDs and counter electrode/polysulfide electrolyte contacts, Rct1, Rct2, were estimated from the fitting of electrochemical impedance spectrum. These results are important to explain the obtained performance efficiency from the J-V curves.

Using CALPHAD method, the Al-Zr, Al-Li and Al-Li-Zr systems have been reassessed based on the latest experimental phase relations from literatures and the first-principle calculation of the formation enthalpy for ternary compound T1(AlLi2Zr) in this work. The excess Gibbs energies of solution phases, including liquid, bcc, fcc and hcp, were expressed by the Redlich–Kister polynomial. The stoichiometric compounds, i.e. Al4Zr5, Al3Zr5, AlZr2, AlZr3, Al2Li3, Al4Li9 and T1(AlLi2Zr), were modeled as stoichiometric model and the non-stoichiometric compounds, i.e. Al3Zr, Al2Zr, Al3Zr2, AlZr, Al3Zr4, Al2Zr3, AlLi2 and T2(AlLix+yZr5−x), were described with different sublattice models. Finally, a set of reasonable thermodynamic parameters for Al-Li-Zr ternary system have been obtained, which notes a clear improvement on the self-consistency. The calculated isothermal section at 470 K of Al-Li-Zr system was in reasonable agreement with the experimental one.

The Ti-Al-Zr-O system has received significant attention as it hosts a variety of phases of industrial interest. In this paper, new experiments on the Ti-Al-Zr-O system aimed at clarifying phase formation depending on the redox conditions with special attention to the formation of ternary compounds and their results have been reported. For the first time a monophase AlTi2O5 sample with a ratio of titanium oxides TiO2:Ti2O3 = 2:1 was obtained and characterized. Single-crystal X-ray diffraction analysis of β-(ZrxTi1-x)2O4 crystals was carried out. The synthesis of the ternary Ti-Al-Zr compound was performed in an evacuated quartz ampoule and accompanied by the extraction of silicon from the ampoule. The compound has pyrochlore-type cubic structure A24+B23+O7 (Fd-3m) and the composition close to (Ti4+1,47(2)Zr0.41(2)Si0.12(1))2(Al1.15(4)Ti3+0.85(4))2O7. We believe that our study is a starting point for future research as it provides first experimental data on the ternary compound in the Ti-Al-Zr-O system.

The diamond-like compound Cu3PSe4 with low lattice thermal conductivity is deemed to be a promising thermoelectric material, which can directly convert waste heat into electricity or vice versa with no moving parts and greenhouse emissions. However, its performance is limited by its low electrical conductivity. In this study, we report an effective method to enhance thermoelectric performance of Cu3PSe4 by defect engineering. It is found that the carrier concentrations of Cu3−xPSe4 (x = 0, 0.03, 0.06, 0.09, 0.12) compounds are increased by two orders of magnitude as x > 0.03, from 1 × 1017 to 1 × 1019 cm−3. Combined with the intrinsically low lattice thermal conductivities and enhanced electrical transport performance, a maximum zT value of 0.62 is obtained at 727 K for x = 0.12 sample, revealing that Cu defect regulation can be an effective method for enhancing thermoelectric performance of Cu3PSe4.

Interaction between the components in the Ho-Fe-Sn ternary system was studied using X-ray diffractometry, metallography and electron microprobe analysis. Isothermal section of the phase diagram was constructed at 670 K over the whole concentration range. Component interaction in the Ho-Fe-Sn system at 670 K results in the existence of one ternary compound HoFe6Sn6 which crystallizes in the YCo6Ge6 structure type (space group P6/mmm, a=0.53797(2), c= 0.44446(2) nm). The interstitial-type solid solution HoFexSn2 (up to 8 at.% Fe) based on the HoSn2 (ZrSi2-type structure) binary compound was found. Solubility of Sn in the HoFe2 binary (MgCu2 structure type) extends up to 5 at. %.

Simultaneously improving energy efficiency (EE) and material stability in electrochemical CO2 conversion remains an unsolved challenge. Among a series of ternary Sn-Ti-O electrocatalysts, 3D ordered mesoporous (3DOM) Sn0.3 Ti0.7 O2 achieves a trade-off between active-site exposure and structural stability, demonstrating up to 71.5 % half-cell EE over 200 hours, and a 94.5 % Faradaic efficiency for CO at an overpotential as low as 430 mV. DFT and X-ray absorption fine structure analyses reveal an electron density reconfiguration in the Sn-Ti-O system. A downshift of the orbital band center of Sn and a charge depletion of Ti collectively facilitate the dissociative adsorption of the desired intermediate COOH* for CO formation. It is also beneficial in maintaining a local alkaline environment to suppress H2 and formate formation, and in stabilizing oxygen atoms to prolong durability. These findings provide a new strategy in materials design for efficient CO2 conversion and beyond.

The Pb-Se-Sn ternary system is of interest to thermoelectric applications. Nevertheless, no phase diagram exists for the entire compositional regime at any temperature. Ternary Pb-Se-Sn alloys are equilibrated at 350°C and 500°C, and their equilibrium phases are determined. The isothermal sections of the equilibrium Pb-Se-Sn phase diagram at 350°C and 500°C are proposed based on the phase diagrams of the three constituent binary systems and ternary phase equilibria results in the literature and those determined in this study. No ternary compound is found. The phase relationships are similar at 350°C and 500°C. At both temperatures, binary compounds, α-PbSe and γ-SeSn, have very significant ternary solubility, but the ternary solubility of Pb in the Se2Sn phase is negligible. There are still unresolved questions about the type and shape of the liquid phase at the Se corner.

Ternary compound Ti4ZrSi3 was prepared by arc melting using a non-consumable tungsten electrode under argon atmosphere, then annealed at 1023K for 30 days, the X-ray powder diffraction data of Ti4ZrSi3 was collected on a Rigaku SmartLab X-ray powder diffractometer. The powder patterns of the compound were indexed and structure refinement by using Rietveld method indicate that the Ti4ZrSi3 compound crystallizes in the hexagonal structure, space group P6/mcm (No.193) with Mn5Si3 structure type, a=b=7.5759(3) Ǻ, c=5.2162(2) Ǻ, V=259.28Ǻ3, Z=2, ρx=4.779g cm-3, the Smith–Snyder FOM F30=148.7(0.0064, 46) and the intensity ratio RIR=1.37. The Rietveld refinement results were Rp = 0.0836, Rwp= 0.1092.

Phase equilibria in the Co–Fe–La system were studied using differential thermal analysis (DTA), X-ray diffraction analysis, scanning electron microscopy (SEM), and electron probe microanalysis (EPMA). Liquidus and solidus projections and a melting diagram for this system over the whole concentration range and a Scheil diagram for solidification were constructed. The ternary compound (Co,Fe)17La2 (τ) (Th2Zn17-type structure) forms by peritectic reaction L + (γCo,Fe) + Co13La ⇄ τ at 978 °C. This ternary compound is located along the isoconcentrate of 11 at.% La and extends from 45.8 to 79.3 at.% Co. The Co13La phase has the widest homogeneity region and dissolves up to 43.3 at.% Fe. The solubilities of Fe in Co5La, Co7La2, Co19La5, and Co3La2 were established to be 10.3, 9.2, 4.7, and 3.2 at.%, respectively. The solubility of Fe in Co1.7La2 and CoLa3 according to EPMA does not exceed 1 at.%. The maximum solubility of La in (γCo,Fe) and (αCo,Fe) is determined to be less than 1 at.%.

The phase relationships of the Ce-Pr-Fe ternary system at 600 °C were experimentally investigated using equilibrated alloys and diffusion junction samples with the use of electron probe microanalysis, x-ray diffraction, and scanning electron microscopy. The isothermal section of the Ce-Pr-Fe system at 600 °C consists of 7 single-phase, 11 two-phase, and 5 three-phase regions. No ternary compound was found. The PrFe2 phase was observed in both ternary alloys and diffusion samples at normal pressure. The solid solubility of Ce in PrFe2 and Pr2Fe17 is 1.76 and 3.75 at.%, respectively. The solid solubility of Pr in CeFe2 and Ce2Fe17 is 13.21 and 0.77 at.%, respectively.

The phase relationships in the Zn-Al-Ti system at 450 and 600 °C were experimentally determined using equilibrated alloys method. The specimens were investigated by means of scanning electron microscopy coupled with energy dispersive spectroscopy and X-ray diffractometry. Eleven and eight three-phase regions are confirmed in the 450 and 600 °C isothermal sections, respectively. The Ti2Al5 which only exists at high temperature (990-1199.4 °C) in Ti-Al binary system is confirmed in two isothermal sections due to the dissolution of zinc. The T phase is confirmed as a ternary compound rather than an extension phase of TiZn3 at 450 °C. The T2 phase is a new ternary phase stable at 450 and 600 °C in Zn-Al-Ti ternary system.