Journal of Environmental Chemical Engineering
·
2024
·
IF 7.4
Tuo Zheng,Haiyan Fan,Jia Zhao,Jile Fu,Songshou Ye,Sajid Ali,Nuowei Zhang,Jinbao Zheng,Binghui Chen
In diesel adsorption desulfurization, the coordination bonding between the adsorbent and sulfur compounds is interfered by aromatic compounds in diesel. Transition metal cation exchanged zeolites Y has exhibits exceptional anti-interference performance. In this work, the influence of electron configuration on coordination bonding is explored, specifically between the adsorbent and substrate, using both experimental and DFT theoretical methods. Initially, NiY, CuY and ZnY were synthesized and evaluated for their desulfurization performance in model solution (sulfur content: 25 ppmw dibenzothiophene [DBT]) with two toluene concentrations (1 w% and 3 w%). It is found that CuY showed the highest performance with retention rate at 70.2 %. Subsequently, DFT calculations revealed the binding energy between Cu(II) and DBT was −2.71 eV, higher than Ni(II) and Zn(II), and that between Cu(II) and toluene was −1.75 eV, lower than Ni(II) and Zn(II), indicating that the highest binding energy difference was responsible for the best adsorption capability. Apart from these, wave function analysis show the electron configuration between Cu(II) and DBT had the highest binding energy difference. Finally, the impact of electron configuration on adsorption performance is further investigated by modulating the electron configuration of Ni(II) to enhance/suppress its adsorption capability. According to the findings of this study, tuning the electron configuration is an effective strategy to develop materials in adsorptive desulfurization particularly for extra low sulfur content.
研究领域:
化学工程
·
材料科学
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Materials
·
2026
·Vol. 19
·期 12
·2515
·
IF 3.7
Zhaohui Ma,Guoqing Yan,Xiao Yan,Haiyang Ding,Gang Wu,Shunli Zhang,Jiandong Zhang,Weidong Chen,Lijun Wang
HighlightsDynamic shift of oxygen mediator from Ca to metallic Y by increasing chlorine potential, explaining non-monotonic O variation in Zr.Establishment of three-phase equilibrium (Y–YOCl–YCl3) enabling in-depth deoxidation of Zr down to 20 ppm at 1173 K.Synergistic mechanism of O and Cl potentials clarified, providing a novel framework for designing efficient gettering systems.Zirconium (Zr) is a strategic metal resource whose performance is significantly degraded by high oxygen content. The external gettering process is an effective approach for in-depth deoxidation of Zr. In this study, the deoxidation behavior of Zr in the Ca-Y-CaCl2external gettering system was investigated by adjusting the chlorine potential through YCl3addition. The change of oxygen potential and its synergistic control mechanism during the variation of chlorine potential were systematically examined. The results demonstrated that with increasing chlorine potential, the system undergoes a sequence of reactions: chlorination of Ca, formation of metallic Y, formation of YOCl, dissolution of Y2O3, and formation of YCl3, ultimately reaching a three-phase equilibrium of Y-YOCl-YCl3. During this process, the oxygen content of Zr fluctuates notably, which is primarily attributed to the shift in the oxygen-transfer medium from Ca to Y. This transition changes the oxygen potential control mechanism from indirect Y-Ca control to direct Y control. After reaching equilibrium at 1173 K for 72 h, the equilibrium oxygen content of Zr initially remains stable with increasing chlorine potential, then gradually decreases, eventually reaching 20 ppmw. This trend is consistent with the mutual interaction of oxygen potential and chlorine potential. The findings provide important theoretical insights into the interaction between oxygen and chlorine potentials in deoxidation systems, elucidate the multi-element synergistic mechanism for oxygen control, and contribute to the design of efficient deoxidation systems.
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高影响因子
SENSORS AND ACTUATORS B-CHEMICAL
·
2026
·
IF 8.3
Yiao Xu,Hongsen Xie,Xingtai Chen,Yujun Guo,Jiayi Qu,Changsheng Ji,Xiaoning Wang,Davoud Dastan,Xi-Tao Yin,Xiaoguang Ma
This study reports, for the first time, the synthesis of yttrium-doped cadmium sulfide (Y-doped CdS) nanomaterials via a one-step hydrothermal method and the fabrication of a high-performance gas sensor for isopropanol detection. At an optimal operating temperature of 162.5 ℃, the sensor exhibited a remarkable response of 400–100 ppm isopropanol, which is approximately five times higher than that of the undoped CdS sensor. Additionally, the device demonstrated ultrafast response/recovery kinetics (8 s/2 s), excellent selectivity, and robust long-term stability. Structural and compositional characterizations indicate that Y-doping induces lattice distortion in the CdS matrix, effectively suppressing grain growth. Furthermore, electron paramagnetic resonance (EPR) analysis revealed that Y 3 + doping significantly increases the concentration of sulfur vacancies. These structural modifications, combined with defect engineering, collectively enhance the gas sensing performance, offering a novel strategy for the rational design of high-efficiency isopropanol sensors.
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ACS Catalysis
·
2026
·
IF 13.6
Tianyao He,Yuzhen Zhang,Gan Li,Xiang Tu,Fengqing Zhuo,Jian Ji,Fengbo Yu,Guobo Li,Wenming Liu,Lu Wei,Jiguang Deng,Weili Dai,Honggen Peng
We report the rational design and precise construction of Y zeolite-encapsulated Pd catalysts featuring coexisting single atoms and clusters (Pd1+n@Y) that enable the efficient and low-temperature total oxidation of propane. Fine tuning of Pd loading and synthesis conditions in a PVP-assisted one-pot hydrothermal approach affords controllable confinement of dual active sites (isolated Pd single atoms and clusters). Catalytic evaluations reveal that Pd1+n@Y exhibits a T90 of only 265 °C, significantly outperforming the single-site counterparts (Pd1@Y and Pdn@Y). Combining density functional theory (DFT) calculations with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) studies elucidates a stepwise synergistic mechanism wherein Pd single atoms preferentially activate the C–H bond in propane to form alkyl intermediates, while Pd clusters facilitate O2 activation and C–C bond cleavage to complete oxidation. This work establishes a robust “single atom–cluster” synergistic paradigm for designing advanced catalysts for the abatement of light alkanes.
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JOURNAL OF THE AMERICAN CERAMIC SOCIETY
·
2026
·Vol. 109
·期 3
·e70653
·
IF 4.2
Bowen Yin,Haoran Ren,Weijia Guo,Chongyang Zhang,Xingchen Zhang,Yutian Lu,Hui Zhang,Zhenxing Yue
Aluminum nitride (AlN) ceramics are widely used in high-power electronic devices due to their excellent electrical insulation, high thermal conductivity, and chemical stability. Doping with rare-earth oxides is a common modification method for AlN ceramics that enhances sintering behavior and thermal conductivity but simultaneously alters defect states, thereby affecting electrical properties. The evolution of these defects and their influence on electrical transport and heat conduction remain unclear. Herein, the defect behavior, electrical insulation, and thermal conduction of Y 2 O 3 , La 2 O 3 , and Sm 2 O 3 -doped AlN ceramics are systematically compared. A combination of direct current (DC) conductivity, electrochemical impedance spectroscopy (EIS), dielectric spectroscopy, and thermally stimulated depolarization current (TSDC) analyses confirms a pronounced defect “cleaning effect” induced by rare-earth dopants, with an efficiency ranking of Sm > La > Y. The results reveal that oxygen substituting for nitrogen sites and aluminum vacancies dominate the low- and high-temperature conduction processes, respectively. The influence of rare-earth doping on thermal conductivity is also evaluated. Notably, the samples doped with 4 wt% Y 2 O 3 exhibit the best electrical insulation and the highest thermal conductivity. This work provides important insights into achieving synergistic optimization of the electrical and thermal properties of AlN ceramics through defect engineering.
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JOURNAL OF POWER SOURCES
·
2016
·
IF 6.333
Xiaolei Jiang,Huayun Xu,Hongzhi Mao,Jian Yang,Yitai Qian
Disordered surface of anode materials accompanied by oxygen vacancies , has been developed as an efficient strategy to promote their charge-transfer kinetics and then improve their electrochemical properties . It is rarely explored for cathode materials before. Here, LiTi 2- x Mn x (PO 4- y ) 3 nanoparticles with a disordered surface and oxygen vacancies , are synthesized by a hydrothermal method following with an annealing in Ar/H 2 . Their disordered surface and heteroatom doping by reduced Mn/Ti species, have been supported by HRTEM images, XPS and EDS spectra. After 120 cycles at 0.2 C, these nanoparticles still deliver a capacity of 127 mAh g −1 , much higher than the product without any doping, and that without a disordered surface. Even after 500 cycles, the capacity is still at 101 mAh g −1 for 5 C or at 71 mAh g −1 for 20 C. These results could be attributed to the reduced charge-transfer resistance caused by disordered surface, and the enhanced lithium-diffusion induced by doping.
研究领域:
材料科学
·
电化学
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JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
·
2026
·Vol. 46
·期 9
·118223
·
IF 6.3
Lan Gao,Yun Zhang,Xi Jiang,Shihua Ding
Ga 3+ heterovalent substitution for Zn 2+ was beneficial for modifying ZnZrTa 2 O 8 ceramic. The enlarged Q × f was caused by a combination of grain size and total lattice energy U Total increase. The improvement of τ f was attributed to the increase in Ta-O bond energy. Zn 0.99 Ga 0.01 ZrTa 2 O 8.005 ceramics exhibited optimal Q × f of 103,236 ± 2155 GHz (@7.38 GHz) and τ f = -17.65 ± 1.61 ppm/℃. The improved τ f provided great convenience for gaining temperature stable dielectric ceramics. Afterward, ZnTa 2 O 6 as a temperature compensator was added to adjust the τ f to zero. The Zn 0.99 Ga 0.01 ZrTa 2 O 8.005 dissolved into ZnTa 2 O 6 lattice. As a result, 0.4Zn 0.99 Ga 0.01 ZrTa 2 O 8.005 -0.6ZnTa 2 O 6 ceramic sintered at 1350 ℃ obtained the desirable dielectric properties: ε r = 28.18 ± 0.01, Q × f = 81,919 ± 394 GHz (@6.70 GHz), τ ƒ = -0.51 ± 0.06 ppm/℃.
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FUEL
·
2026
·
IF 7.8
Aolue Yan,Yanhong Quan,Yan Li,Jun Ren
Cu aggregation has been a significant obstacle to promoting the catalytic performance of methanol dehydrogenation for the production of high hydrogen storage chemical methyl formate (MF). Catalysts composed of Cu with different loading ( x = 5, 10, 15, 20 wt%) supported on dealuminated mesoporous Y zeolite (mY-deAl) had been prepared by mechanical grinding method and used in methanol dehydrogenation for MF. 10Cu/mY-deAl with appropriate Cu loading exhibited the largest MF yield of 31.9%, which was approximately 30 times higher than that of Cu/mY of 1.0% under 280 °C and 0.2 MPa. The excellent behavior was proved to be attributed to the development of amounts of mesoporous allowing the Cu particle enter into as well as the formation of Al vacancies anchoring optimal amount of Cu, induced by the dealumination of Y. Furthermore, the closely linear relationships between Cu dispersion and TOF Cu , along with that between active Cu 0 concentration and MF selectivity were revealed. The less Cu loading could not provide enough active sites for the conversion of methanol (22.0%) even though having the best dispersion, while the excessive Cu loading would result in Cu aggregation in the mesopores deriving from the limit of Al vacancies. This contribution innovatively provided a kind of Cu supported Y catalyst and clearly elucidated the promotion mechanism of catalytic performance driven by the synergy of Al vacancies and mesopores in methanol dehydrogenation to MF.
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JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
·
2026
·Vol. 37
·期 15
·1203
·
IF 3.2
Zhang Xiaoru,Luo Laima,Song Jing,Han Mingming,Sun Hongqian,Cao Lei,Wu Yucheng
A solvent-free strategy combining dry ball milling and calcination is developed to fabricate an Al-Y co-doped ZrO 2 (Al-YSZ) coating on LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) cathodes. Structural characterizations confirm Al-YSZ induces NCM811 lattice expansion (unit cell volume + 0.00026 nm 3 ) and reduces cation mixing ( I (003) / I (104) = 1.621). TEM shows a ~ 50 nm coating with intimate matrix contact. Electrochemically, it delivers 218.9 mAh/g at 0.1 C (21.7% higher than pristine), retains 161.5 mAh/g after 200 cycles at 1 C, and exhibits superior stability under 4.5 V (137.3 mAh/g after 200 cycles), 45 ℃ (64.5% retention), and 5 C (86.0% retention). Mechanisms involve enhanced interfacial stability, optimized Li + kinetics (diffusion coefficient 2.21 × 10 −12 cm 2 /s after cycling), and mitigated structural degradation. This scalable green strategy advances high-nickel cathode optimization.
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CERAMICS INTERNATIONAL
·
2026
·
IF 6
Chunlin Wang,Hongzhao Xu,Shubo Xu,Wuju Wang,Yanchun Zhou,Xinghong Zhang,Wenbo Han,Changqing Hong
Oxide aerogels are promising as high-efficiency thermal insulation materials under extreme conditions owing to their low density, high porosity, large specific surface area, and ultralow thermal conductivity. However, their limited temperature resistance, volumetric changes during crystallisation and phase transitions, hinder their widespread application. To overcome this bottleneck, a novel strategy to retard the crystallisation and enhance the thermal stability of HfO 2 aerogel through the controlled incorporation of Si and Y was proposed. HfO 2 and ternary HfO 2 –Y 2 O 3 –SiO 2 (HYS) aerogels were synthesised via sol–gel method. The HfO 2 aerogel crystallised below 600 °C and underwent sintering at 1200 °C. Conversely, the HYS aerogel comprised low-crystallinity Y 2 Hf 7 O 17 nanocrystals after heat treatment at 900 °C, demonstrating a large specific surface area of 310.23 m 2 /g. The dopant elements were found to effectively inhibit sintering, enabling the HYS aerogel to retain a significantly large specific surface area of 48.72 m 2 /g even after heat treatment at 1200 °C. Y 2 Hf 7 O 17 exhibited a minimum thermal conductivity of 0.89 W·m −1 ·K −1 , providing the HYS aerogel with superior high-temperature thermal insulation performance. Furthermore, the comparatively lower linear shrinkage during the high-temperature heating process revealed HYS as a promising novel thermal insulation material for extreme environmental applications. This study expands on the oxide aerogel system and provides valuable guidance for component selection and design strategies for high-thermal-stability oxide aerogels.
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NANOTECHNOLOGY
·
2022
·Vol. 34
·期 5
·055401
·
IF 3.953
Hongjing Wang,Hang Ren,Songliang Liu,Kai Deng,Hongjie Yu,Xin Wang,You Xu,Ziqiang Wang,Liang Wang
The synthesis of catalysts with controllable morphology and composition is important to enhance the catalytic performance for oxygen reduction reaction (ORR). Herein, trimetallic PtPdY mesoporous nanospheres (PtPdY MNs) are produced via a one-step chemical reduction method applying F127 as soft temple under acidic condition. The mesoporous structure provides a large contact area and also stimulates the diffusion and mass transfer of reactants and products. Besides, synergistic effect among Pt, Pd and Y elements effectively alters their electronic structure, enhancing the catalytic activity. Therefore, the PtPdY MNs show excellent ORR permanence to Pt/C under the alkaline solution. This study offers an effective channel for the preparation of mesoporous metals with rare earth metal doping towards promising electrocatalytic applications.
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SENSORS AND ACTUATORS B-CHEMICAL
·
2022
·
IF 9.221
Qi Wang,Wenyong Li,Juan Xia,Hai Wu,Lijun Wu,Jianguo Xu
The construction of DNA nanodevices is vital for disease diagnosis and biomedical study. Herein, we proposed a ternary DNA nanomachine for microRNA determination using a molecular beacon (MB) coupled Y shape probe (MB-YP). The MB-YP was a tripartite junction scaffold connected with MB-Y I , Y II , and Y III . The target miRNA firstly recognizes MB-Y I , activating the MB-Y I -DNA nanomachine to produce endogenous primer I (EP I ) responsible for the activation of Y II -DNA nanomachine. The Y II -DNA nanomachine then allows the production of numerous EP II , which in turn activates the Y III -DNA nanomachine to produce EP III for re-activating MB-Y I -DNA nanomachine. The stepwise operated MB-Y I -DNA nanomachine, Y II -DNA nanomachine, and Y III -DNA nanomachine constituted the ternary DNA nanomachine and the repeated use of EP I , EP II , and EP III permits it an all-in amplification. These features lead to the opening of MB-Y I for emitting strong fluorescence. As low as 1 fM miRNA can thus be quantitatively detected and the linear response of the miRNA is from 1 fM to 100 pM (six orders of magnitude). Moreover, the nanomachine is specific to distinguish target miRNA from one-base mutant, inserted, and deleted target analogs. Its practicability was demonstrated by confirming miRNA-21 is overexpressed in clinical human serums from lung cancer patients than healthy donors.
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