Search Results (254)

The elastic and photoelastic coefficients of Ba₃TaGa₃Si₂O₁₄ (BTGS) crystals were determined by the quantum–mechanical calculation technique. Based on these data, extreme piezo-optic surfaces π′°_km were constructed, which describe the change in the path difference in light beams in the crystal under the influence of mechanical stress. The results for BTGS crystals are compared with the ones for other crystals of the langasite group (La₃Ga₅SiO₁₄, Ca₃Ga₂Ge₄O₁₄, Ca₃TaGa₃Si₂O₁₄ and Ca₃NbGa₃Si₂O₁₄). The global maxima of the π′°_km surfaces for BTGS crystals significantly exceed the ones for the other crystals mentioned above and, accordingly, BTGS crystals can be suitable for use in polarization-optic light modulators and devices based on them. The acousto-optic efficiency of BTGS crystals was evaluated. The correlations between the magnitude of the piezo- and elasto-optic coefficients and the parameters of the unit cell of the studied crystals were determined. Full article

The Junggar Basin contains a large amount of coal resources and is an important coal production base in China. The coal seam in Zhundong coalfield has a large single-layer thickness and high content of inertinite, but large particle Fe-sulphide minerals are associated with coal seams in some mining areas. A series of economic and environmental problems caused by the combustion of large-grained Fe-sulphide minerals in coal have seriously affected the economic, clean and efficient utilization of coal. In this paper, the ultra-thick coal seam of the Xishanyao formation in the Yihua open-pit mine of the Zhundong coalfield is taken as the research object. Through the analysis of coal quality, X-ray fluorescence spectrometer test of major elements in coal, inductively coupled plasma mass spectrometry test of trace elements, SEM-Raman identification of Fe-sulphide minerals in coal and LA-MC-ICP-MS test of sulfur isotope of marcasite, the coal quality characteristics, main and trace element characteristics, macro and micro occurrence characteristics of Fe-sulphide minerals and sulfur isotope characteristics of marcasite in the ultra-thick coal seam of the Xishanyao formation are tested. On this basis, the occurrence state and genesis of large particle Fe-sulphide minerals in the ultra-thick coal seam of the Xishanyao formation are clarified. The main results and understandings are as follows: (1) the occurrence state of Fe-sulphide minerals in extremely thick coal seams is clarified. The Fe-sulphide minerals in the extremely thick coal seam are mainly marcasite, and concentrated in the YH-2, YH-3, YH-8, YH-9, YH-14, YH-15 and YH-16 horizons. Macroscopically, Fe-sulphide minerals mainly occur in three forms: thin film Fe-sulphide minerals, nodular Fe-sulphide minerals, and disseminated Fe-sulphide minerals. Microscopically, they mainly occur in four forms: flake, block, spearhead, and crack filling. (2) The difference in sulfur isotope of marcasite was discussed, and the formation period of marcasite was preliminarily divided. The overall variation range of the δ³⁴S value of marcasite is wide, and the extreme values are quite different. The polyflake marcasite was formed in the early stage of diagenesis and the δ³⁴S value was negative, while the fissure filling marcasite was formed in the late stage of diagenesis and the δ³⁴S value was positive. (3) The coal quality characteristics of the thick coal seam were analyzed. The organic components in the thick coal seam are mainly inertinite, and the inorganic components are mainly clay minerals and marcasite. (4) The difference between the element content in the thick coal seam of the Zhundong coalfield and the average element content of Chinese coal was compared. The major element oxides in the thick coal seam are mainly CaO and MgO, followed by SiO₂, Al₂O₃, Fe₂O₃ and Na₂O. Li, Ga, Ba, U and Th are enriched in trace elements. (5) The coal-accumulating environment characteristics of the extremely thick coal seam are revealed. The whole thick coal seam is formed in an acidic oxidation environment, and the horizon with Fe-sulphide minerals is in an acidic reduction environment. The acidic reduction environment is conducive to the formation of marcasite and is not conducive to the formation of pyrite. (6) There are many matrix vitrinite, inertinite content, clay content, and terrigenous debris in the extremely thick coal seam. The good supply of peat swamp, suitable reduction environment and pH value, as well as groundwater leaching and infiltration, together cause the occurrence of large-grained Fe-sulphide minerals in the extremely thick coal seam of the Xishanyao formation in the Zhundong coalfield. Full article

After reviewing the state of the art of the fluorination of inorganic solid electrolytes, an application of gas/solid fluorination is given and how it can be processed. Garnet-type oxide has been chosen. These oxides with an ideal structure of chemical formula A₃B₂(XO₄)₃ are mainly known for their magnetic and dielectric properties. Certain garnets may have a high enough Li⁺ ionic conductivity to be used as solid electrolyte of lithium ion battery. The surface of LLZO may be changed in contact with the moisture and CO₂ present in the atmosphere that results in a change of the conductivity at the interface of the solid. LiOH and/or lithium carbonate are formed at the surface of the garnet particles. In order to allow for handling and storage under normal conditions of this solid electrolyte, surface fluorination was performed using elemental fluorine. When controlled using mild conditions (temperature lower or equal to 200 °C, either in static or dynamic mode), the addition of fluorine atoms to LLZO with Li_6,4Al_0,2La₃Zr₂O₁₂ composition is limited to the surface, forming a covering layer of lithium fluoride LiF. The effect of the fluorination was evidenced by IR, Raman, and NMR spectroscopies. If present in the pristine LLZO powder, then the carbonate groups disappear. More interestingly, contrary to the pristine LLZO, the contents of these groups are drastically reduced even after storage in air up to 45 days when the powder is covered with the LiF layer. Surface fluorination could be applied to other solid electrolytes that are air sensitive. Full article

A method for generally predicting interface chemical bonding at the metal–oxide interface with the interface reaction considered is reported. So far, the interface between pure metal or alloy and 11 oxides—MgO, Al₂O₃, SiO₂, Cr₂O₃, ZnO, Ga₂O₃, Y₂O₃, ZrO₂, CdO, La₂O₃, and HfO₂—without considering the interface reaction, has been discussed and implemented in the free web-based software product InterChemBond (v2022). Now, the number of oxides available for prediction is 83 in total. Among them, 29 oxides are in one stable valence, and the others are multi-valence. The newly developed prediction method considering the interface reaction is additionally implemented in InterChemBond. The principles and formula for predicting interface bonding while considering interface reactions are provided as well as some screenshots of the software. Full article

Triethylamine (TEA), a volatile organic compound (VOC), has important applications in industrial production. However, TEA has an irritating odor and potential toxicity, making it necessary to develop sensitive TEA gas sensors with high efficiency. This study focused on preparing LaFeO₃ nanoparticles modified by SnS₂ nanosheets (SnS₂/LaFeO₃ composite) using a hydrothermal method together with sol–gel technique. According to the comparison results of the gas-sensing performance between pure LaFeO₃ and SnS₂/LaFeO₃ composite with varying composition ratios, 5% SnS₂/LaFeO₃ sensor had a sensitivity for TEA that was 3.2 times higher than pure LaFeO₃ sensor. The optimized sensor operates at 140 °C and demonstrates strong stability, selectivity, and long-term durability. Detailed analyses revealed that the SnS₂ nanosheets enhanced oxygen vacancy (O_V) content and carrier mobility through heterojunction formation with LaFeO₃. This study provides insights into improving gas-sensing performance via p-n heterostructure design and proposes a novel LaFeO₃-based material for TEA detection. Full article

The widespread use of formaldehyde in both industrial and household products has raised significant health concerns, emphasizing the need for highly sensitive sensors to monitor formaldehyde concentrations in the environment in real time. In this study, we report the fabrication of a highly sensitive formaldehyde gas sensor based on Ag₂O and PtO₂ co-decorated LaFeO₃ nanofibers, prepared by electrospinning, with an ultra-low detection limit of 10 ppb. Operating at an optimal temperature of 210 °C, the sensor exhibits high sensitivity, with a response value of 283 to 100 ppm formaldehyde—nearly double the response of the Ag-only decorated LaFeO₃ sensor. Additionally, the sensor demonstrated good selectivity, repeatability, and long-term stability over 80 days. The enhanced sensitivity is attributed to the strong adsorption ability of Ag towards both oxygen and formaldehyde, Ag’s catalytic oxidation of formaldehyde, PtO₂’s catalytic action on oxygen, and the spillover effect of PtO₂ on oxygen. This sensor holds significant potential for environmental monitoring due to its ultrahigh sensitivity and ease of fabrication. Full article

Electrochemical devices on solid electrolytes are closely considered from the point of view of efficient utilization of environmental resources in order to obtain a variety of products, including those with high added cost. This study provides insight into the functionality of electrochemical cells that have been designed with a specific configuration. These cells have the same ionic composition of the anode, cathode, and electrolyte. This was achieved by iron doping of highly conductive (La,Sr)(Ga,Mg)O_3−δ electrolyte, and gallium and magnesium doping of the electrode material based on (La,Sr)FeO_3−δ. The main focus in this study is on the electrochemical behavior of such cells depending on the oxygen partial pressure in the gas phase, as well as the stability of the electrochemical performance over time for more than 950 h of testing. According to the obtained results, the electrochemical cell with a completely identical ionic composition of electrodes La_0.6Sr_0.4Fe_0.85Ga_0.1Mg_0.05O_3−δ and electrolyte (La_0.8Sr_0.2)_0.98Ga_0.7Fe_0.1Mg_0.2O_3−δ demonstrated the best set of optimal performances. This consists of excellent chemical compatibility, high electrochemical activity (0.08 Ω cm² in air at 800 °C), and a minor degradation rate. Full article

The Late Paleozoic granitoids widely distributed in the central section of the East Kunlun Orogenic Belt (EKOB) are responsible for the constraints on its post-collisional extensional processes. We report the whole-rock geochemical compositions, zircon U-Pb ages, and zircon Hf isotope data of granites in the western Kendewula area. The granites, dated between 413.7 Ma and 417.7 Ma, indicate emplacement during the Early Devonian period. The granite is characterized by high silicon content (72.45–78.96 wt%), high and alkali content (7.59–9.35 wt%), high 10,000 × Ga/Al values, and low Al2O3 (11.29–13.32 wt%), CaO (0.07–0.31 wt%), and MgO contents (0.16–0.94 wt%). The rocks exhibit enrichment in large-ion lithophile element (LILE) content and high-field-strength element (HFSE) content, in addition to strong losses, showing significant depletion in Ba, Sr, P and Eu. These geochemical characteristics correspond to A2-type granites. The values of Rb/N and Ba/La and the higher zircon saturation temperature (800~900 °C) indicate that the magma source is mainly crustal, with the participation of mantle materials, although limited. In addition, the zircon εHf(t) values (−4.3–3.69) also support this view. In summary, the A2-type granite exposed in the western Kendewula region formed against a post-collisional extensional setting background, suggesting that the Southern Kunlun Terrane (SKT) entered a post-orogenic extensional phase in the evolution stage since the Early Devonian. The upwelling of the asthenospheric mantle of the crust, triggered by crustal detachment and partial melting, likely contributed to the flare-up of A2-type granite during this period. By studying the nature of granite produced during orogeny, the evolution process of the formation of orogenic belts is discussed, and our understanding of orogenic is enhanced. Full article

The Dehbid region, located in the southern part of the Sanandaj–Sirjan Zone (SSZ), is a significant iron oxide mining district with over 20 iron oxide deposits (IODs) and reserves of up to 50 million tons of iron oxide ores. The region features a NW–SE oriented ductile shear zone, parallel to the Zagros thrust zone, experienced significant deformation. Detailed structural studies indicate that the iron mineralization is primarily stratiform to stratabound and hosted in late Triassic to early Jurassic silicified dolomites and schists. These ore deposits consist of lenticular iron oxide orebodies and exhibit various structures and textures, including banded, laminated, folded, disseminated, and massive forms of magnetite and hematite. The Fe₂O₃ content in the mineralized layers varies from 30 to 91 wt%, whereas MnO has an average of 3.9 wt%. The trace elements are generally low, except for elevated concentrations of Cu (up to 4350 ppm) and Zn (up to 3270 ppm). Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS) analysis of magnetite reveals high concentrations of Mg, Al, Si, Mn, Ti, Cu, and Zn, with significant depletion of elements such as Ga, Ge, As, and Nb. This study refutes the hypothesis of vein-like or hydrothermal genesis, providing evidence for a sedimentary origin based on the trace element geochemistry of magnetite and LA-ICP-MS geochemical data. The Dehbid banded iron ores (BIOs) are thought to have formed under geodynamic conditions similar to those of BIOs in back-arc tectonic settings. The combination of anoxic conditions, submarine hydrothermal iron fluxes, and redox fluctuations is essential for the formation of these deposits, suggesting that similar iron–manganese deposits can form during the Phanerozoic under specific geodynamic and oceanographic conditions, particularly in tectonically active back-arc environments. Full article

The oxidative coupling of methane (OCM) is a promising process for converting methane directly into more valuable ethane and ethylene. In this work, high time resolution online mass spectrometry was employed to track the OCM reaction over a commercial La₂O₃ catalyst, focusing on the effects of methane to oxygen ratio, gas hourly space velocity (GHSV), and the presence of H₂O and CO in the feed gas on methane conversion and C₂ yield. The results demonstrated that an optimized GHSV (44,640 to 93,000 mL·g⁻¹·h⁻¹) and methane to oxygen ratio (CH₄/O₂ = 3) would achieve the highest methane conversion and C₂ yield at 740 °C. Furthermore, at a GHSV of 44,640 mL·g⁻¹·h⁻¹, the introduction of 1% H₂O into the reaction mixture resulted in a twofold increase in C₂ yield at 650 °C, while the addition of 1% CO led to a threefold increase in C₂ yield at 550 °C. A model in which only the front-end catalyst is active was also developed to show excellent agreement with the experimental data. The relationship between catalytic performance and the effective catalyst position in the catalyst bed provides important insights into optimizing reactor design and operating conditions to maximize C₂ yield and selectivity in the OCM reaction. Full article

In this work, we report the synthesis of perovskite-type Ba-doped LaFeO₃ (La_1−xBa_xFeO₃, x = 0.00, 0.02, 0.04, and 0.06) nanofibers (NFs) using the electrospinning method. The synthesized La_1−xBa_xFeO₃ materials have a fibrous structure with an average fiber diameter of 250 nm. The fibers, in turn, consist of smaller crystalline particles of 20–50 nm in size. The sensor properties of La_1−xBa_xFeO₃ nanofibers were studied when detecting 20 ppm CO, CH₄, methanol, and acetone in dry air in the temperature range of 50–350 °C. Doping with barium leads to a significant increase in sensor response and a decrease in operating temperature when detecting volatile organic compounds (VOCs). The process of acetone oxidation on the surface of the most sensitive La_0.98Ba_0.02FeO₃ material was studied using in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and temperature-programmed desorption in combination with mass spectrometry (TPD-MS). A mechanism for the sensor signal formation is proposed. Full article

A Pt@CeLaCoNiOx/Co@SnO₂ laminated MOS sensor was prepared using Co@SnO₂ as the gas-sensitive film material and Pt@CeLaCoNiOx as the catalytic film material. The sensor was verified to exhibit good sensing performances for dimethyl methylphosphonate, a simulant of Sarin, under a temperature modulation, and characteristic peaks appeared in the resistance response curves only for dimethyl methylphosphonate. The Article Swarm Optimization-Backpropagation Neural Network had a good ability to identify the resistance response data of dimethyl methylphosphonate. The identification accuracy increased as the concentration of dimethyl methylphosphonate increased. This scheme can effectively identify whether the test gas contained dimethyl methylphosphonate or not, which provided a reference for achieving the high selectivity of the MOS sensor for Sarin. Full article

The stability of thermal barrier coating (TBC) materials during service is a prerequisite for the normal operation of aircraft engines. The high-temperature corrosion of CaO–MgO–Al₂O₃–SiO₂ (CMAS) is an important factor that affects the stability of TBCs on turbine blades and causes premature engine failure. For traditional 6-8 YSZ, at temperatures of more than 1200 °C, the thermal insulation performance is significantly reduced, which makes it necessary to find new, alternative materials. La₂Zr₂O₇ has good thermal physical properties; the addition of Ce⁴⁺ improves its mechanical properties, while adding Gd₂O₃ affects its corrosion resistance. Herein, high-temperature corrosion studies of (La_1−xGd_x)₂(Zr_0.7Ce_0.3)₂O₇ (L-GZC) (x = 0, 0.3, 0.5, 0.7) ceramic TBC were conducted using CMAS glass at 1250 °C. The results indicate that CMAS rapidly dissolves L-GZC and separates the (La, Gd)₈Ca₂(SiO₄)₆O₂ apatite phase, ZrO₂, and other crystalline phases. These products form a crystalline layer at the contact boundary, which can inhibit further CMAS reactions. Among the coatings examined, the L-GZC ceramic (x = 0.7) exhibits better corrosion resistance, and the penetration depth is <200 μm after high-temperature corrosion at 1250 °C for 5, 10, and 20 h. The failure mechanism and potential risk of CMAS were also analyzed and discussed. The L-GZC ceramic material has good thermal corrosion resistance and is expected to replace the traditional YSZ to better meet the high-temperature working requirements of gas turbines and aircraft engines. Full article

Bayan Obo rare earth concentrate (BOREC) is composed of bastnaesite, monazite and fluorite, which is recognized as a refractory mineral in the world. In order to solve the problems of waste gas treatment and comprehensive utilization efficiency of BOREC decomposed by the current concentrated sulfuric acid roasting method (500–700 °C), H₂SO₄-HCl mixed acid assisted by aluminum salt was used to leach out the bastnaesite, and the optimal conditions were determined as follows: c(H⁺) = 7 mol/L, c(1/2H₂SO₄):c(HCl) = 5:1, c(Al₂(SO₄)₃) = 0.25 mol/L, temperature 135 °C, liquid–solid ratio of 42:1, and reaction time 3 h. At this time, the leaching rates of concentrate and rare earth (La, Ce, Pr and Nd) were 74.08% and 71.95%, respectively, and the decomposition rate of bastnaesite was 96.83%. At the same time, the yield of calcium sulfate was 77.35% and the purity was 99.22%. Subsequently, sodium sulfate was added with m(Na₂SO₄):m(RE₂O₃) = 2.5:1, and the recovery rate of rare earth was 99.5%, and the purity of rare earth double salt product was 98.47% at a temperature of 90 °C. After most of the acid had been extracted with triethyloctanamine, sodium fluoride was added with a fluorine–aluminum ratio of 6:1, sodium carbonate was used to adjust pH = 3, and cryolite was obtained with a purity of 95.59% and an aluminum recovery rate of 99.6% at 90 °C. Since the separation of bastnaesite and monazite has been basically realized in the leaching stage, it is conducive to the docking of subsequent alkali decomposition and recovery of trisodium phosphate, realizing the comprehensive recovery of rare earth, fluorine, calcium, aluminum and phosphorus. Full article

This study applies machine learning (ML) techniques to classify fertile [for porphyry Cu and (or) Au systems] and barren adakites using geochemical data from New Brunswick, Canada. It emphasizes that not all intrusive units, including adakites, are inherently fertile and should not be directly used as the heat source evidence layer in mineral prospectivity mapping without prior analysis. Adakites play a crucial role in mineral exploration by helping distinguish between fertile and barren intrusive units, which significantly influence ore-forming processes. A dataset of 99 fertile and 66 barren adakites was analyzed using seven ML models: support vector machine (SVM), neural network, random forest (RF), decision tree, AdaBoost, gradient boosting, and logistic regression. These models were applied to classify 829 adakite samples from around the world into fertile and barren categories, with performance evaluated using area under the curve (AUC), classification accuracy, F1 score, precision, recall, and Matthews correlation coefficient (MCC). SVM achieved the highest performance (AUC = 0.91), followed by gradient boosting (0.90) and RF (0.89). For model validation, 160 globally recognized fertile adakites were selected from the dataset based on well-documented fertility characteristics. Among the tested models, SVM demonstrated the highest classification accuracy (93.75%), underscoring its effectiveness in distinguishing fertile from barren adakites for mineral prospectivity mapping. Statistical analysis and feature selection identified middle rare earth elements (REEs), including Gd and Dy, with Hf, as key indicators of fertility. A comprehensive analysis of 1596 scatter plots, generated from 57 geochemical variables, was conducted using linear discriminant analysis (LDA) to determine the most effective variable pairs for distinguishing fertile and barren adakites. The most informative scatter plots featured element vs. element combinations (e.g., Ga vs. Dy, Ga vs. Gd, and Pr vs. Gd), followed by element vs. major oxide (e.g., Fe₂O₃T vs. Gd and Al₂O₃ vs. Hf) and ratio vs. element (e.g., La/Sm vs. Gd, Rb/Sr vs. Hf) plots, whereas major oxide vs. major oxide, ratio vs. ratio, and major oxide vs. ratio plots had limited discriminatory power. Full article