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JOURNAL OF ALLOYS AND COMPOUNDS · 2024 · IF 5.8

Thermal properties of high-entropy fluorite (Zr0.2Hf0.2Pr0.2La0.2×0.2)O2-δ(X=Dy, Ho, Er, Y, Tm): A first-principles combined with experimental study investigating the influence of size and mass difference effect

Jiadong Hou,Yufeng Liu,Chufei Cheng,Fuhao Cheng,Pengfei Qin,Yang Miao,Weihua Ji,Xiaomin Wang

The limited efficiency of traditional trial-and-error experiments has impeded the development and application of high-entropy fluorite oxides in thermal insulation coatings. To solve this problem, a novel entropy descriptor based on first principles is presented to help select candidate components for synthesizing high-entropy fluorite structure oxides. Results show that the compatibilities of 10 single-phase high-entropy fluorite oxides can be accurately predicted based on entropy formation ability. In the studied (Zr, Hf, Pr, La, X) O 2-δ system, a correlation between thermal characteristics and size/mass differences was established by designing the size and mass of X. Specifically, we found that the thermal conductivity is more strongly correlated with the difference in atomic mass, while the coefficient of thermal expansion is strongly correlated with the difference in atomic size. X-ray photoelectron spectroscopy (XPS) analysis shows that the concentration of oxygen vacancy can effectively reduce the thermal conductivity of high-entropy fluorite oxides. In addition, the values of hardness, elastic modulus and thermal conductivity of five single-phase fluorite oxides are successfully predicted by first principles calculation , and the differences between these values and the experimental results are small, which provides a prospective significance for the performance prediction of high-entropy fluorite oxides. Our findings provide a strategy for customizing high-entropy fluorite single-phase oxides with suitable properties to meet the performance requirements of thermal barrier coatings (TBCs).

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ELECTROCHIMICA ACTA · 2018 · IF 5.116

An effectively inhibiting lithium dendrite growth in-situ-polymerized gel polymer electrolyte

Chaoqun Niu,Mingke Zhang,Guangping Chen,Bokai Cao,Jiwei Shi,Jie Du,Yong Chen

Polyacrylate polymer is a promising polymer matrix for gel polymer electrolyte (GPE) in lithium-ion batteries . Herein, in-situ polymerized poly(ethylene glycol phenyl etheracrylate) (PEGPEA) based GPE combined with 1 M LiPF6 in ethylene carbonate/dimethyl carbonate/ethyl methyl carbonate (EC/DMC/EMC, 1:1:1 in volume) solvents was introduced. The maximum recoverable strain of the in-situ polymerized PEGPEA-GPE was up to 99%. The outstanding interfacial compatibility between PEGPEA-GPE and the lithium electrode was also obtained. Surprisingly, lithium dendrite was effectively suppressed in charge-discharge cycling because of polymer-enhanced solid electrolyte interphase (SEI) and excellent contact interface. Furthermore, the PEGPEA-GPE exhibited wide electrochemical stability window up to 4.9 V versus Li + /Li, and achieved an ionic conductivity of 3.35 × 10 −3  S cm −1  at 25 °C. When used as electrolyte, the Li[Ni 0.5 Co 0.2 Mn 0.3 ]O 2 /PEGPEA-GPE/Li batteries showed high discharge capacity retention rate of 97.5% after 70 charge-discharge cycles and considerable discharge rate capability, i.e., 155 mAh g −1 0.2C, 142 mAh g −1 0.5C, 120 mAh g −1 1C, 60 mAh g −1 2C. These results demonstrate that this highly elastic in-situ polymerized PEGPEA-GPE is a potential electrolyte system for high-performance polymer electrolyte lithium-ion batteries and has excellent application prospects in wearable and flexible batteries.

研究领域: 材料科学 · 电化学 · 电池技术
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FOOD CHEMISTRY · 2026 · IF 10.4

A novel bigel type featured as O1/W/O2 microstructure achieved by whey protein aggregates as dual-interfaces mediator: Enabling dual functions in low-fat cream cheese simulation and co-delivery of pterostilbene/gallic acid

Qiuya Ji,Kai Ye,Ran Meng,Sijie Wu,Ran Feng,Bao Zhang

To address the conflicting challenges of fat reduction, texture fidelity, and co-delivery of hydrophilic and hydrophobic bioactive compounds, this study explored an innovative O 1 /W/O 2 -microstructured bigel system, WGB(O 1 /W/O 2 ). The system was stabilized through whey protein aggregates rapidly adsorbing at dual interfaces as an amphiphilic mediator, along with hydrogen bonding formation with guar gum in hydrogel matrix. The extended multilayered structure enabled WGB(O 1 /W/O 2 ) demonstrated favorable cream cheese simulation performance in appearance, viscoelastic properties, melting behavior, and texture characteristics. Sequential degradation of each phase during digestion (O 2 -W-O 1 ) increased the intestinal release of PTS and GA by up to 3.3-fold and 1.8-fold, respectively, over conventional bigels (O/W or bicontinuous). Among the bigels, cream cheese texture similarity ranked O 1 /W/O 2  > bicontinuous>O/W. The delivery efficiency for hydrophobic PTS followed O 1 /W/O 2  > O/W > bicontinuous, while that for hydrophilic GA followed O 1 /W/O 2  > bicontinuous>O/W. This study highlights broad application prospects of WGB(O 1 /W/O 2 ) for fat-reduced and nutrient-enhanced dual-functional foods, while advances understanding of bigel microstructure evolution-properties relationships.

CAS / MDL: 537-42-8
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APPLIED CATALYSIS A-GENERAL · 2011 · IF 3.384

The effect of TEMPO in the hydroxylation of benzene to phenol on the [(CH3)4N]4PMo11VO40/ascorbic acid/TEMPO/O2 catalytic system: Formation of ascorbic acid radicals through hydrogen exchange of ascorbic acid and TEMPO

Hua Yang,Jia-Qi Chen,Jun Li,Ying Lv,Shuang Gao

Hydroxylation of benzene to phenol in the [(CH 3 ) 4 N] 4 PMo 11 VO 40 /ascorbic acid/TEMPO/O 2 catalytic system was carefully investigated. UV–vis, ESR and 1 H NMR studies showed ascorbic acid radicals were formed through the hydrogen exchange of ascorbic acid with TEMPO (2,2,6,6-tetramethyl-1-piperidine-N-oxyl radicals) during the reaction. In acetonitrile, the ascorbic acid would be partly oxidized to 2-hydroxy-2-buten-4-olide (α-tetronic acid, isotetronic acid, compound 1 ) without TEMPO. The interaction of TEMPO and ascorbic acid restrained the oxidative dissociation of ascorbic acid and promoted the rate of the hydroxylation. Aqueous acetic acid solvent can also restrain the oxidative dissociation of ascorbic acid. In aqueous acetic acid, the yield of phenol could reach 18.9% in the [(CH 3 ) 4 N] 4 PMo 11 VO 40 /ascorbic acid/TEMPO/O 2 catalytic system with sufficient ascorbic acid after 400   min.

CAS / MDL: 2564-83-2 75-59-2
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2024 ·Vol. 25 ·期 13 ·6871 · IF 4.9

Constructing Direct Z-Scheme Y2TmSbO7/GdYBiNbO7 Heterojunction Photocatalyst with Enhanced Photocatalytic Degradation of Acetochlor under Visible Light Irradiation

Liang Hao,Jingfei Luan

This study presents a pioneering synthesis of a direct Z-scheme Y2TmSbO7/GdYBiNbO7heterojunction photocatalyst (YGHP) using an ultrasound-assisted hydrothermal synthesis technique. Additionally, novel photocatalytic nanomaterials, namely Y2TmSbO7and GdYBiNbO7, were fabricated via the hydrothermal fabrication technique. A comprehensive range of characterization techniques, including X-ray diffractometry, Fourier-transform infrared spectroscopy, Raman spectroscopy, UV-visible spectrophotometry, X-ray photoelectron spectroscopy, transmission electron microscopy, X-ray energy-dispersive spectroscopy, fluorescence spectroscopy, photocurrent testing, electrochemical impedance spectroscopy, ultraviolet photoelectron spectroscopy, and electron paramagnetic resonance, was employed to thoroughly investigate the morphological features, composition, chemical, optical, and photoelectric properties of the fabricated samples. The photocatalytic performance of YGHP was assessed in the degradation of the pesticide acetochlor (AC) and the mineralization of total organic carbon (TOC) under visible light exposure, demonstrating eximious removal efficiencies. Specifically, AC and TOC exhibited removal rates of 99.75% and 97.90%, respectively. Comparative analysis revealed that YGHP showcased significantly higher removal efficiencies for AC compared to the Y2TmSbO7, GdYBiNbO7, or N-doped TiO2photocatalyst, with removal rates being 1.12 times, 1.21 times, or 3.07 times higher, respectively. Similarly, YGHP demonstrated substantially higher removal efficiencies for TOC than the aforementioned photocatalysts, with removal rates 1.15 times, 1.28 times, or 3.51 times higher, respectively. These improvements could be attributed to the Z-scheme charge transfer configuration, which preserved the preferable redox capacities of Y2TmSbO7and GdYBiNbO7. Furthermore, the stability and durability of YGHP were confirmed, affirming its potential for practical applications. Trapping experiments and electron spin resonance analyses identified active species generated by YGHP, namely •OH, •O2−, and h+, allowing for comprehensive analysis of the degradation mechanisms and pathways of AC. Overall, this investigation advances the development of efficient Z-scheme heterostructural materials and provides valuable insights into formulating sustainable remediation strategies for combatting AC contamination.

研究领域: 材料科学 · 环境科学 · 化学 · 纳米技术
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