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ADVANCED FUNCTIONAL MATERIALS · 2023 ·Vol. 33 ·期 15 ·2210578 · IF 19

Temperature-Induced Self-Decomposition Doping of Fe3GeTe2 to Achieve Ultra-High Tc of 496 K for Multispectral Compatible Strong Electromagnetic Wave Absorption

Guanghao Li,Suping Ma,Zhuo Li,Yawen Zhang,Yishu Cao,Yi Huang

Fe 3 GeTe 2 provides an ideal system for the study of itinerant ferromagnetism. However, the Curie temperature (Tc) below room temperature limits its further in-depth research and wide applications. Here, the Tc of 224 K for Fe 3 GeTe 2 is greatly increased to 496 K for Fe 3 GeTe 2 /FeTe 2 /Fe 3 Ge by temperature-induced self-decomposition doping, contributing to improve the electromagnetic response for enhancing the absorption strength and bandwidth and boosting application potentials at higher temperatures. Then, to achieve the multispectral compatible strong absorption, room temperature ferromagnetic dielectric graphene@Fe 3 GeTe 2 /FeTe 2 /Fe 3 Ge absorber with 3D porous network structure is prepared by synergistic self-assembly. It has high Tc of 443 K with strong electromagnetic synergistic loss, achieving reflection loss of −61 dB at 12.6 GHz. Moreover, its absorption loss in the terahertz band (0.1–1.6 THz) is 76 dB, and the average loss is greater than 50.4 dB. Furthermore, the absorber is very potential as stealth skin to efficiently reduce satellite RCS with a multi-angle and multi-band manner in the gigahertz and terahertz bands, thus achieving the purpose of stealth. Compared with the reported conventional absorbers, the absorber has a multispectral compatible strong absorption performance covering gigahertz and terahertz bands, thus very promising for electromagnetic protection of electromagnetic communication and space vehicles.

CAS / MDL: 8002-74-2
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Solubility and Data Correlation of 2-Bromo-5-hydroxypyrazine in Four Cosolvent Mixtures and Ten Mono-Solvents from 278.15 to 323.15 K

Renjie Xu,Jianhong Gu

The experimental solubility of 2-bromo-5-hydroxypyrazine dissolved in 10 mono-solvents (methanol, ethanol, isopropanol, N,N-dimethylformamide (DMF), n-propanol, acetonitrile, acetone, ethylene glycol (EG), propylene glycol (PG), water) and cosolvent mixtures of methanol + water, ethanol + water, isopropanol + water, and DMF + water was determined by the isothermal saturation method between 278.15 and 323.15 K at 101.2 kPa. The largest solubility was observed in DMF + 2-bromo-5-hydroxypyrazine for mono-solvent systems and in DMF + water for mixed solvent systems. The Jouyban–Acree model (J–A), van’t Hoff–Jouyban–Acree model (V–J–A), and Apelblat–Jouyban–Acree model (A–J–A) were utilized to correlate the 2-bromo-5-hydroxypyrazine solubility in mixtures, and the Apelblat model, van’t Hoff model, λh model, and Jouyban model were used to correlate the 2-bromo-5-hydroxypyrazine solubility in 10 mono-solvents. The preferential solvation of 2-bromo-5-hydroxypyrazine in mixed solvents was researched by calculation of δx1,3. This study presents insights into modulating the 2-bromo-5-hydroxypyrazine crystallization process and in understanding equilibrium behaviors in different solvents.

CAS / MDL: 118289-17-1
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CERAMICS INTERNATIONAL · 2023 · IF 5.2

Antioxidant performance and oxidation mechanism of a liquid silicon infiltration (LSI) SiC–Si coating at an ultra-high temperature of 1873 K

Zhengliang Liu,Wei Zhang,Huanpeng Bu,Ken Chen,Yan Jiang,Huijun Liu,Chaoliu Zeng

A novel SiC–Si coating with a high amount of net-like distributed Si was fabricated on the graphite substrate by liquid silicon infiltration (LSI) method to improve the oxidation-resistant performance. The mass gain of this LSI coating after 300 h oxidation at 1873 K was only 3.018%, suggesting an excellent static antioxidant property at 1873 K. The detailed oxidation mechanism of this LSI coating was explored in this work. It was found that the high amount of Si with the net-like distribution in this LSI coating promoted the passivation growth of SiO 2 glass layer and prevented the SiO 2 glass from crystallizing into cristobalite. In addition, the Si in this coating retarded the active oxidation and enhanced the coating stability. In contrast, the infiltration (VSI) SiC–Si coating presented an apparent mass loss, and the pack cementation (PC) SiC coating showed the catastrophic failure. The oxidation mechanisms of these two coatings were also discussed against the backdrop of the LSI coating with high antioxidant performance.

CAS / MDL: 64-17-5
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Journal of Energy Storage · 2023 · IF 9.4

Towards enhanced structural stability by investigation of the mechanism of K ion doping in Na3V2(PO4)3/C for sodium ion batteries

Jun Cong,Shao-hua Luo,Peng-yu Li,Kun Li,Peng-wei Li,Sheng-xue Yan

Na 3 V 2 (PO 4 ) 3 is particularly suitable as cathode materials for sodium ion batteries (SIBs). Its NASICON structure is not only conducive to the rapid migration of Na + , but also has less volume deformation during Na + deintercalation, and the main frame mechanism remains unchanged. However, owing to its own structure, the electronic conductivity is limited, which limits its practical application. Here, on the basis of carbon coating to enhance the electronic conductivity, the effect of sodium site doping of K + on the structure and properties of Na 3 V 2 (PO 4 ) 3 /C is deeply explored by comparing series Na 3-x K x V 2 (PO 4 ) 3 /C (x = 0, 0.05, 0.1, 0.15, 0.2). The initial discharge capacity of Na 2.9 K 0.1 V 2 (PO 4 ) 3 /C is 107.7 mAh·g −1 in the potential range of 2.5–3.8 V at 0.2C, and the capacity remains 95 % after 300 cycles. The excellent performance of Na 2.9 K 0.1 V 2 (PO 4 ) 3 /C benefits from the large radius of K + as functional support ions, which lightly relieves the deformation pressure of Na + during the deintercalation process, thereby stabilizing the crystal structure. Moreover, the doping of K + plays a critical role in improving the diffusion coefficient of Na + . Density functional theory (DFT) calculations demonstrate that the Na-site doping of K + can enhance the electronic conductivity of the material, which in turn brings excellent electrochemical performance. Prime novelty statement • On the basis of carbon coating, Na 2.9 K 0.1 V 2 (PO 4 ) 3 /C cathode materials with excellent electrochemical performance are obtained by doping K at theNa-site. • The effect of Na-site doping of K + on the structure and properties of Na 3 V 2 (PO 4 ) 3 /C is deeply explored by comparing series Na 3-x K x V 2 (PO 4 ) 3 /C (x = 0, 0.05, 0.1, 0.15, 0.2). • The mechanism of excellent electrochemical performance and structural stability caused by Na-site doping of K + is revealed theoretically by DFT calculation.

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Coatings · 2023 ·Vol. 13 ·期 6 ·1085 · IF 3.4

Effect of Annealing Temperature on the Structure and Properties of La2O3 High-K Gate Dielectric Films Prepared by the Sol-Gel Method

Zhenchuan Lu,Kamale Tuokedaerhan,Haotian Cai,Hongguo Du,Renjia Zhang

This article presents the sol-gel method for depositing La2O3thin films on n-type Si substrates and quartz substrates, and investigates the impact of annealing temperature on the microcomposition, surface morphology, optical properties, and band characteristics of the films. X-ray diffraction (XRD) analysis indicates that the films are amorphous below 500 °C, with annealing resulting in a hexagonal-phase La2O3(h-a2O3) and new non-hydrated impurities. Fourier-transform infrared (FTIR) analysis reveals that the prepared La2O3film is unaffected by moisture. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) provide evidence that the La2O3film has a smooth, uniform surface without cracks. The roughness increases from 0.426 nm to 1.200 nm, and the film thins from 54.85 nm to 49.80 nm as the annealing temperature rises. The film’s transmittance is above 75%, as measured by UV-Vis, and the calculated optical bandgap increases from 5.11 eV to 5.75 eV. The calculated band offset of the La2O3film is greater than 1 eV, which meets the minimum requirements for MOS devices, thus providing promising prospects for La2O3films in MOS applications.Keywords:high k gate dielectric;sol-gel;La2O3;thin film

CAS / MDL: 10277-43-7 109-86-4
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Journal of Food Measurement and Characterization · 2022 ·Vol. 16 ·期 5 ·3512-3525 · IF 3.006

Investigation on physicochemical, structural, and functional properties of protein from pecan (Carya illinoinensis (wangenh.) K. Koch) treated by three different peeling methods

Chen Yu,Jing Huijuan,Du Xiaojing,Jiang Chengyu,Wang Li,Jiang Chao,Wang Hongxin,Ma Chaoyang

The removal of endocarp, which has great effects on protein properties, is indispensable during developing pecan kernel protein. The effect of different removal methods, namely alkaline peeling (AP), enzymatic peeling (EP), and mechanical peeling (MP), on the physicochemical, structural, and functional properties of pecan kernel protein was investigated. The obtained proteins by three peeling methods had similar molecular weight (14–66 kDa) and amino acids (18 in all) composition. The average particle size of obtained protein samples in series of EP, AP, MP were 0.89, 0.74, and 0.80 μm respectively, the protein contents were 70.34%, 74.72%, and 73.12% respectively, and the L* values (representative of lightness) were 49.21, 65.18, 59.78 respectively. The protein structure of AP and EP samples was greatly changed, behaving as the reduction of the α-helix and β-sheet in secondary structure and the red-shift of the maximum wavelength in the endogenous fluorescence, while the MP was beneficial to maintain the structure. The AP sample presented better solubility, oil absorption capacity, and emulsification; The MP sample showed the best foaming property. These results confirmed that different peeling methods could greatly influence the physicochemical, structural, and functional properties of pecan protein. This research would provide a useful guideline for the production and applications of pecan protein.

CAS / MDL: 9012-54-8 9032-75-1
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2022 · IF 3.269

Liquid-liquid equilibrium data for ternary mixtures (water + isopropanol + 1-pentanol/1-hexanol/1-heptanol) at 298.15 K: Measurement, correlation and prediction

Wenyang Fan,Yuanyuan Han,Houchun Yan,Dongmei Xu,Huiwen Huang,Yinglong Wang

To recover isopropanol from its aqueous solution, alkanols (1-pentanol, 1-hexanol and 1-heptanol) were selected as the solvents to separate water and isopropanol. Liquid-liquid equilibrium data for water + isopropanol + 1-pentanol/1-hexanol/1-heptanol ternary systems were measured at 298.15 K under 101.3 kPa. The mass conservation of the experimental data was checked, and the reliability of the tie-lie data were evaluated by the Bachman, Hand and Othmer-Tobias equations. The extraction performance of the three solvents was assessed through the separation factor and partition coefficient, and compared with those for other reported solvents {esters, ketones, ethers, alkanes (or alkenes), ionic liquids and deep eutectic solvents}, indicating that 1-heptanol has better extraction performance for isopropanol compared with other two solvents. The NRTL and UNIQUAC models were used to correlate the data to obtain regression parameters. The mixed surface analysis based on Gibbs energy topology verified that the binary interaction parameters are consistent with the measured data. Furthermore, the LLE binodal curve for the researched ternary systems were predicted through the UNIFAC and COSMO-UNIFAC models.

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ANALYTICAL CHEMISTRY · 2022 · IF 8.008

In Situ Monitoring of Extracellular K+ Using the Potentiometric Mode of Scanning Electrochemical Microscopy with a Carbon-Based Potassium Ion-Selective Tip

Yuxian Liao,Ting Jing,Fan Zhang,Pingang He

The expression of potassium channels can be related to the occurrence and development of tumors. Their change would affect K+ outflow. Thus, in situ monitoring of extracellular K+ shows a great significance. Herein, the dual-functional K+ ion-selective electrode as the scanning electrochemical microscopy (SECM) tip (K+-ISE SECM tip) has been developed for in situ monitoring of the extracellular K+. Based on multi-wall carbon nanotubes as a transduction layer, the K+-ISE SECM tip realizes both the plotting of approach curves to position the tip for in situ detection and the recording of potential responses. It shows a near Nernstian response, good selectivity, and excellent stability. Based on these characteristics, it was used to in situ monitor K+ concentrations ([K+]o) of three breast cancer cell lines (MCF-7, MDA-MB-231, and SK-BR-3 cells) at 3 μm above the cell, and [K+]o of MDA-MB-231 cells show the highest value, followed by MCF-7 cells and SK-BR-3 cells. K+ outflow induced by electrical stimulation or pH changes of the culture environment (Δ[K+]o) was further determined, and the possible mechanism of K+ outflow was investigated with 4-aminopyridin (4-AP). MCF-7 cells present the largest value of Δ[K+]o, followed by MDA-MB-231 cells and SK-BR-3 cells at all the stimulation potentials, and pH 6.50 shows the greatest impact on K+ outflow of the three cell lines. The pretreatment of 4-AP changed K+ outflow, probably due to the regulation of voltage-gated channels. These findings provide insight into a deep understanding of the microenvironment influence on K+ outflow, thereby reflecting the possible mechanism of potassium channels.

CAS / MDL: 2001-95-8
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JOURNAL OF ALLOYS AND COMPOUNDS · 2021 · IF 5.316

K6Bi13(PO4)15, K5Bi(P2O7)2, A5Bi5(PO4)4(P2O7)2 (A=K, Rb): New bismuth phosphates with different condensed phosphate groups

Runqing Liu,Hongping Wu,Hongwei Yu,Zhanggui Hu,Jiyang Wang,Yicheng Wu

Four new Bi(III) phosphates, K 6 Bi 13 (PO 4 ) 15 , K 5 Bi(P 2 O 7 ) 2 , and A 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 (A= K, Rb) with the different condensed P-O groups have been successfully synthesized via the solid-state reactions. The single crystals X-ray diffractions show that they crystallize in the different space groups (K 6 Bi 13 (PO 4 ) 15 : C 2; K 5 Bi(P 2 O 7 ) 2 : P 1 ¯ ; K 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 and Rb 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 : P 2 1 / c ). The structure of K 6 Bi 13 (PO 4 ) 15 can be described as a three-dimensional (3D) network composed of the Bi-O polyhedra and PO 4 tetrahedra with K atoms filling in the space to balance the residual charges. K 5 Bi(P 2 O 7 ) 2 features 2D [BiP 4 O 14 ] ∞ layers built by the BiO 6 octahedra and P 2 O 7 dimers and the adjacent [BiP 4 O 14 ] ∞ layers are bridged by the K atoms. A 5 Bi 5 (PO 4 ) 4 (P 2 O 7 ) 2 (A = K, Rb) contain two different condensed P-O groups, PO 4 tetrahedra and P 2 O 7 dimers, which are connected by Bi-O polyhedra to construct the complicated 3D framework with K/Rb atoms located in the tunnels. Note that, the compounds that simultaneously contain two different types of P-O groups are still rare in phosphates. Detailed structural comparisons of Bi 3+ -containing phosphates indicate that the Bi/P ratios have a significant effect on the condensed degrees of PO 4 groups. Furthermore, TG-DSC, IR, UV-Vis-NIR diffuse reflectance spectra and SHG test for title compounds have also been reported.

CAS / MDL: 584-09-8 1304-76-3
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Tuning the CO2 absorption and physicochemical properties of K+ chelated dual functional ionic liquids by changing the structure of primary alkanolamine ligands

Zelalem Anja Zema,Tingting Chen,Hegang Shu,Yingjie Xu

To reveal the effects of the alkyl substitutions at alpha (α) or beta (β) position adjacent to amino group of primary alkanolamine ligands on CO 2 absorption and physicochemical properties of metal chelated dual functional ionic liquids (DFILs), four DFILs were prepared by reacting potassium imidazole salt (KIm) with alkanolamine ligands, including 2-amino-2-methyl-1-propanol (AMP), 2-amino-1-butanol (AMB), DL-1-amino-2-propanol (DLAMP), and monoethanolamine (MEA). CO 2 absorption behavior and mechanism of DFILs were studied, and density ( ρ ), speed of sound ( u ), and viscosity ( η ) of DFILs were measured to correlate with the CO 2 absorption performance. DFT calculations were employed to explore the influence of the interactions between K + and alkanolamine on the CO 2 absorption and physicochemical properties of DFILs. The results show that CO 2 capacity at 333.2 K is as follows: [K(AMP) 2 ][Im] > [K(AMB) 2 ][Im] > [K(DLAMP) 2 ][Im] > [K(MEA) 2 ][Im], indicating that the introduction of alkyl group at α or β position of alkanolamines can enhance CO 2 capacity, and the effect of the α position is more significant than the β position. Both ρ and u follow the order: [K(AMP) 2 ][Im] < [K(AMB) 2 ][Im] < [K(DLAMP) 2 ][Im] < [K(MEA) 2 ][Im], while η is in the reverse order. Moreover, the saturated CO 2 capacity of DFILs has an approximately linear relation with the thermal expansion coefficient. DFT calculations show that the presence of the alkyl group at α or β position of alkanolamines reduces the Mulliken charge of N and O atom, thereby weakening the cation coordination interaction between K + with ligand, resulting in the decrease in ρ and u of DFILs. Moreover, the decrease in the Mulliken charge of N and O atom in alkanolamine leads to the increase of chelated cation-[Im] − interaction, thereby increasing η of DFILs. Consequently, [K(AMP) 2 ][Im] exhibits higher CO 2 capacity and good reversibility, due to the fact that CO 2 can react with the chelated cation and [Im] – simultaneously. The present study provides a new method for effectively regulating the performance of DFILs.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Solubility Measurement and Model Correlation of N,N′-Oxalyldiglycine in Eleven Pure Solvents and a Binary Solvent from 293.15 to 333.15 K

Xin Huang,Qiufen Wang,Shouxiang Jiang,Bin Wang,Wenjun Xie,Chengfei Wang,Haoran Li,Guan Wang,Gengxiu Zheng

The solubility of N,N’-oxalyldiglycine (OG) in 11 pure solvents, including methanol, ethanol, n-propanol, isopropyl alcohol, n-butanol, acetonitrile, ethyl acetate, tetrahydrofuran (THF), water, N,N’-dimethylformamide (DMF), and dimethyl sulfoxide (DMSO), and a binary solvent system composed of DMSO and water was measured by a dynamic laser monitoring method with the temperature ranging from 293.15 to 333.15 K. Results of these experiments demonstrated that the solubility of OG in all pure solvents increases with rising temperature. The highest solubility appeared in DMSO while the lowest solubility appeared in ethyl acetate. Besides, the mole fraction solubility of OG in binary solvents increases with increasing content of DMSO. Furthermore, the experimental solubility of OG in pure solvents was correlated with the modified Apelblat, Van’t Hoff, λh, and Wilson models. Four models (Van’t Hoff, CNIBS/R–K, modified Jouyban–Acree, and Wilson) were used for the binary solvents. The Van’t Hoff model best correlates with the experimental values in pure and binary solvents, and the calculated values by the Wilson model have a large deviation from the experimental values.

CAS / MDL: 56-86-0
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ACS Omega · 2023 · IF 4.1

Solubility Measurement and Correlation of Itraconazole Hydroxy Isobutyltriazolone in Four Kinds of Binary Solvent Mixtures with Temperature from 283.15 to 323.15 K

Qi Dong,Shuai Yu,Xingzhu Wang,Shangzhi Ding,Enxia Li,Yuanxing Cai,Fumin Xue

The solubility of itraconazole hydroxy isobutyltriazolone (IHI) in four commonly used binary solvent mixtures of N,N-dimethylformamide (DMF) + water, DMF + ethanol, tetrahydrofuran (THF) + water, and THF + ethanol was determined with gravimetric method at temperatures ranging from 283.15 to 323.15 K under atmospheric pressure. The solubility of IHI in all selected solvents increases with the increase of temperature. The maximum solubility of IHI exists in the solvent of DMF + ethanol (0.06523 mol·mol–1, x20 = 0.7, T = 323.15 K), while the minimum solubility exists in DMF + water (0.0003723 mol·mol–1, x20 = 0.3, T = 283.15 K). There is a co-solvency phenomenon in the mixed solvents of DMF+ ethanol, THF + water, and THF + ethanol. Four thermodynamic models, including the modified Apelblat model, the Yaws model, the Sun model, and the modified Jouyban–Acree model, were selected to fit the solubility data of IHI. All the RAD values are less than 0.0484, and RMSD values are not more than 0.001319. The Yaws model and the modified Apelblat model fit the solubility data of IHI better than the other two models. All the selected four models can fit the solubility data of IHI well.

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