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International Journal of Electrochemical Science · 2023 · IF 1.5

Carboxymethyl Cellulose -Polyaniline Composites as Efficient Corrosion Inhibitor for Q235 Steel in 1 M HCl solution

Yong Lu,Huixia Feng,Hou Xia,Wu Hai Xia

Polyaniline has a wide application in the field of corrosion protection, the poor solubility of polyaniline limited its application as a corrosion inhibitor. Water-soluble carboxymethyl cellulose -polyaniline composites was synthesized by chemical oxidation polymerization in a mild way without other inorganic or organic acids added. Corrosion inhibition performance of composites was evaluated for Q235 steel corrosion in 1 M HCl corrosive solution using weight loss and electrochemical measurements at various concentrations. The results show that carboxymethyl cellulose -polyaniline composites exhibit good inhibition properties and the remarkable increase in inhibition efficiency, i.e., 94.24% is achieved while the maximum concentration of the experiment is 1000 ppm. The composites in corrosive solution suppress the cathodic hydrogen evolution reactions and anodic metal dissolution of the substrate. Adsorption of the inhibitor on the steel surface follows a Langmuir adsorption isotherm.

研究领域: 材料科学 · 腐蚀与防护
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CHEMICAL ENGINEERING JOURNAL · 2023 · IF 15.1

Electrochemical performance of bridge molecule-reinforced activated carbon fiber-m-aminobenzenesulfonic acid-polyaniline for braidable-supercapacitor application

Huijuan Zhu,Yibing Xie

The bridge molecule-reinforced activated carbon fiber-m-aminobenzenesulfonic acid-polyaniline (ACF-mABSA-PANI) is designed and fabricated as braidable-supercapacitor electrode to achieve long cycle life and high capacitive performance. The mABSA acts as bridge molecule to form amide bond between mABSA and ACF, as well as sulfonamide bond between mABSA and PANI, which is confirmed by infrared spectrometer and X-ray photoelectron spectroscopy. The interfacial interaction between ACF and PANI is enhanced by chemical bonding, thus alleviating the shedding of polyaniline and improving the cycle life of ACF-mABSA-PANI. The electrostatic potential and Mulliken charge analysis calculations indicate that ACF-mABSA-PANI has an extended delocalized π-π conjugation system. The bridge molecule of mABSA improves the free electron migration efficiency between PANI and ACF, leading to an increase in the specific capacitance of ACF-mABSA-PANI. As a result, ACF-mABSA-PANI presents much higher specific capacitance of 599.3F/g at 0.5 A/g and much higher capacitance retention ratio of 93.8 % after 2000 charge/discharge cycles at 2 A/g while ACF-PANI only keeps 335.0F/g and 54.4 %. Braidable-supercapacitor based on ACF-mABSA-PANI electrode provides an energy density of 39.83 Wh kg −1 at a power density of 900 W kg −1 and maintains a high capacitance retention of 78.1 % after 2000 charge/discharge cycles at 2 A/g. Well-designed ACF-mABSA-PANI presents the potential and promising application for wearable electrochemical energy storage devices.

研究领域: 材料科学 · 电化学
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Nano Research · 2021 ·Vol. 15 ·期 1 ·519-527 · IF 8.897

Tuning the coordination environment of single-atom catalyst M-N-C towards selective hydrogenation of functionalized nitroarenes

Zhou Dan,Zhang Leilei,Liu Xiaoyan,Qi Haifeng,Liu Qinggang,Yang Ji,Su Yang,Ma Jingyuan,Yin Jianzhong,Wang Aiqin

Fine-tuning of the coordination environment of single-atom catalysts (SACs) is effective to optimize their catalytic performances, yet it remains challenging due to the vulnerability of SACs. Herein, we report a new approach to engineering the coordination environment of M-N-C (M = Fe, Co, and Ni) SACs by using glutamic acid as the N/C source and pyrolysis atmosphere as a regulator. Compared with that in N 2 , NH 3 was able to promote the doping of N at T < 700 °C yet etch the N-species at higher temperatures, by which the M-N coordination number (CN) and the electronic structure were delicately tuned. It was found that the electron density of Ni single atoms increased with the decrease of Ni-N CN. As a consequence, the capability of Ni-N-C to dissociate H 2 was greatly enhanced and a higher catalytic activity in chemoselective hydrogenation of functionalized nitroarenes was achieved. Moreover, this modulation method could be applied to other transition metals including Fe and Co. In particular, the as-synthesized Co-N-C SAC afforded a turnover frequency of 152.3 h −1 with 99% selectivity to 3-vinylaniline in the hydrogenation of 3-nitrostyrene, which was the highest ever reported thus far and was at least one order of magnitude more active than state-of-the-art noble-metal-free M-N-C catalysts, demonstrating the great potential of engineering the coordination environment of SACs.

CAS / MDL: 7631-86-9
研究领域: 催化化学 · 材料科学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2023 · IF 22.1

Introducing highly polarizable cation in M-N-C type catalysts to boost their oxygen reduction reaction performance

Rui Sui,Jing Chai,Xuerui Liu,Jiajing Pei,Xuejiang Zhang,Xingdong Wang,Yu Wang,Juncai Dong,Wei Zhu,Wenxing Chen,Liang Zhang,Zhongbin Zhuang

The metal-nitrogen-carbon (M-N-C) type oxygen reduction reaction (ORR) catalysts are promising for hydroxide exchange membrane fuel cells, but catalysts with further improved performance are challenging. Here, we report the efficient improvement of the ORR activity of M-N-C catalysts by employing highly polarizable metal cation Ag + . Ag, Fe single atomic sites embedded in concave nitrogen doped carbon (Ag 1 Fe 1 /CNC) is successfully synthesized and shows high performance towards ORR, indicating by both the ultra-high half-wave potential of 0.917 V and membrane electrolyte assembly performance of peak power density up to 1.26 W cm −2 . The binding energy of the ORR intermediates on the highly polarizable Ag site in Ag 1 Fe 1 /CNC was significantly tuned by the adjacent Fe site by more than 0.2 eV, and thus leading to a low theoretical ORR overpotential of only 0.398 V. The employment of the highly polarizable metal cation brings a novel and efficient approach to construct highly active catalysts.

研究领域: 材料科学 · 电化学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2015 · IF 2.999

A cost-effective method to fabricate VO2 (M) nanoparticles and films with excellent thermochromic properties

Hua Zhang,Xiudi Xiao,Xuanming Lu,Guanqi Chai,Yaoming Sun,Yongjun Zhan,Gang Xu

In this paper, high crystallinity and pure phase VO 2 (M) powder is synthesized by a novel and facile method. Aiding by additional manual grinding and etching process, 22   nm high-quality VO 2 (M) nanoparticles can be obtained. The structure and properties of the VO 2 (M) particles were characterized by X-ray diffraction analysis, transmission electron microscopy, differential scanning calorimetry and UV–vis–NIR spectrophotometer. After mixing VO 2 (M) nanoparticles with transparent polymer, thin films prepared by grinded VO 2 nanoparticles show excellent thermochromic properties. The solar modulation ability is up to 12.4% with luminous transmittance of 62.7%. Moreover, The haze of films prepared by grinded VO 2 (M) nanoparticles is down to 1.9%, which is far less than that of films prepared by original VO 2 (Haze   =   8.5%) and etched VO 2 particles (Haze   =   4.6%). Dramatical improvement of thermochromic property and definition indicate that it is a promising method to prepare large-scale VO 2 nanoparticles and cost-effective smart window.

CAS / MDL: 7803-55-6
研究领域: 材料科学 · 纳米技术
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CHEMICAL ENGINEERING SCIENCE · 2024 · IF 4.1

M-MnCeOX derived from MOF for low temperature selective catalytic reduction of NOX by NH3: Experiments and mechanisms

Yuting Hu,Minghu Zhao,Bo Du,Ting Cheng,Zhaozhong Jiang,Kai Qin,Chengzhu Zhu

A series of M-MnCeO X catalysts using MOF (Metal-organic Framework) were prepared to apply for NH 3 -SCR (Selective Catalytic Reduction) of NO X . The effects of Mn/Ce molar ratio, calcination temperature and its activity including catalytic activity, H 2 O/SO 2 resistance and stability were systematically investigated. The results showed that under the Mn/Ce molar ratio of 1 and calcination temperature of 400 ℃, the catalyst exhibited excellent catalytic activity, H 2 O/SO 2 resistance, and stability. When the concentration of NO was 500 ppm, the gas spatiotemporal velocity (GHSV) was 36,000 h −1 , and the reaction temperature was 100 ℃, the NO conversion efficiency of M-MnCeO X exceeded 90.0 %. Added 200 ppm SO 2 and 3 vol% H 2 O simultaneously, the NO conversion efficiency was close to 80.0 %. By analyzing the physicochemical properties of the catalyst, M-MnCeO X had a large specific surface area, numerous acidic sites, and excellent redox properties. According to density functional theory (DFT), the NH 3 /NO adsorption energy of M-MnCeO X were −2.35 and −2.40 eV, exhibiting lower than a single MOF-derivative, promoting the adsorption of NH 3 or NO. The reaction mechanism on the M-MnCeO X catalyst followed the E-R and L-H mechanisms by In situ DRIFTS.

研究领域: 环境催化 · 材料科学
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MATERIALS TECHNOLOGY · 2015 · IF 1.227

One-step preparation of core-shell Au@poly(m-phenylenediamine) without any extra reagent and electrocatalytic biosensing for H2O2

F.-B. Meng,H. Xu,W. Li,Q.-W. Liu,S.-M. Gao,X.-C. Ji,Q. Xu,Y. Kong

In this paper, a simple, one-step chemical synthesis of Au@poly(m-phenylenediamine) (PMPD) core-shell nanoparticles by direct dropping aqueous chloroauric acid aqueous solution to m-phenylenediamine aqueous solution was reported, which is a facile and green method. We further evaluate the use of the obtained Au@PMPD to modify glassy carbon electrode and for H2O2 electrocatalytic biosensing. The results indicate that the aggregated small Au nanoparticles in the inner part of PMPD could be an ideal sensing platform for H2O2 detection.

研究领域: 材料科学 · 分析化学 · 生物传感
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JOURNAL OF MOLECULAR STRUCTURE · 2023 · IF 3.8

Structure and magnetic properties of M-type barium ferrite co-doped with Sm and Nb prepared by solid-phase sintering

Shuo Shan,Jie Li,Xuan Zhao,Siwen Pi

M-type barium ferrite with the formula Ba 1− x Sm x Fe 12− y Nb y O 19 ( x  = 0.00–0.10, y  = 0.00–0.20), which was co-doped with Sm 3+ and Nb 5+ ions, was synthesized experimentally by a modified solid-phase reaction method. The crystal structure of samples was determined by X-ray diffraction, which confirmed that they were of high purity. The X-ray diffraction data were fitted with a full-spectrum correction using GSAS software. By Fourier transform infrared spectroscopy, the samples were observed to exhibit bands due to tetrahedral and octahedral sites at 598 cm −1 and 445 cm −1 , respectively. The samples were examined by field emission scanning electron microscopy, which showed that they partly comprised hexagonal structures but mostly consisted of irregular structures with rounded edges. Characterization of the elemental contents of the samples by energy-dispersive spectroscopy revealed an increase in the contents of Sm and Nb and a decrease in the contents of Ba and Fe. The magnetic properties of the samples were examined using a vibrating sample magnetometer. The results showed that the saturation magnetization and residual magnetization of the samples decreased slightly with an increase in the contents of the dopants. The coercivity reached its maximum value, namely, 3367.53 Oe, when x  = 0.04 and y  = 0.08.

研究领域: 材料科学 · 磁学
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JOURNAL OF MOLECULAR STRUCTURE · 2019 · IF 2.12

Fingerprint characterization of M-EDTA complexes and iron compounds using terahertz time-domain spectroscopy

Lijuan Huang,Xin Zhang,Zhuoyong Zhang

Terahertz time-domain spectroscopy (THz-TDS) provides a novel approach for the coordination compounds characterization. In this paper, the THz absorption spectra of iron complexes and M-EDTA (M = Cd 2+ , Cu 2+ , Ni 2+ , Co 2+ , Fe 2+ , Fe 3+ , Mn 2+ , Cr 3+ ) complexes were investigated. Comparing to the infrared (IR) spectra of those compounds, the THz spectra can provide unique chemical and intermolecular vibrational information. The M − O and M − N vibrational modes in the THz-TDS spectra of M-EDTA complexes reveal the vibrational information of intermolecular interactions . Characteristic absorption bands in the THz spectra of various complexes and ligands are observed. THz absorption spectra of iron complexes and different ligands exhibited characteristic absorption bands in 0–2.2 THz region. These characteristic bands can be used to characterize and identify different complexes and ligands. The molecular vibrational information in the THz spectral band provides the unique fingerprint for further study of coordination compounds identification and structure characterization.

研究领域: 化学 · 材料科学 · 光谱学
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2024 · IF 3.8

Optimizing the UV-Fenton Degradation of m-Cresol Wastewater: An Experimental and Artificial Intelligence Modeling Approach

Jing Zhang,Xiaolong Yao,Yue Zhao,Rengui Li,Xiaofei Chen,Haibo Jin,Huangzhao Wei,Lei Ma,Zhao Mu,Xiaowei Liu

Wastewater treatment, especially the efficient degradation of contaminants such as m-cresol, remains a pivotal challenge. This study investigates the application of artificial neural networks (ANN) in predicting total organic carbon (TOC) removal rates from m-cresol-contaminated wastewater by using the ultraviolet (UV)-Fenton oxidation process. Six key variables, namely, Fe2+ dosage, H2O2 dosage, catalyst quantity, reaction time, pH, and substrate concentration, were employed as inputs to the ANN model. Leveraging this multivariable input and a comprehensive data set, the ANN model projected a maximum TOC removal rate of 87.12%, validated by an efficiency of 86.26% achieved through experiments under the derived optimal conditions: Fe2+ dosage at 16.09 mg/L, H2O2 dosage at 1.40 mg/L, catalyst quantity at 0.11 g/L, reaction time of 29.80 min, initial pH of 3.66, and substrate concentration of 50 mg/L. Comparative analysis with other machine learning algorithms further revealed that the ANN model notably outperformed linear regression, support vector regression, and random forest in terms of precision. This work paves the way for resource-optimized experimental designs, fostering real-time wastewater monitoring and refining advanced oxidation process proficiency in industrial applications.

CAS / MDL: 1336-21-6 10035-06-0
研究领域: 环境科学 · 人工智能 · 化学工程
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Russian Journal of Physical Chemistry A · 2023 ·Vol. 97 ·期 13 ·2966-2975 · IF 0.7

Preparation of Ni/SiO2–Al Catalyst and Its Performance for m-Cresol Hydrodeoxygenation

Liu Kun,Zhu TianHan,Li Feng,Wang Jing,Song Hua

A series of Ni/SiO 2 –Al- x catalysts ( x is the initial mass ratio of SiO 2 to Al(NO 3 ) 3 ) with different aluminum contents was prepared by impregnation method using nickel nitrate as the Ni source. The prepared Ni/SiO 2 –Al- x catalysts were characterized by XRD, BET, TPR, TEM, XPS, NH 3 -TPD, and Py-FTIR methods. Taking m -cresol as a model compound, the effects of aluminum content and reaction conditions on the HDO performance were investigated. Results showed that addition of appropriate amount of aluminum can generate acid sites and improve the metal Ni dispersion by increasing the surface area of catalyst. Furthermore, the selectivity to deoxygenated methyl-cyclohexane product over aluminum modified Ni/SiO 2 –Al- x catalysts increased significantly as compared to that of Ni/SiO 2 , which confirmed the importance of aluminum addition on the dehydration of 3-methyl-cyclohexanol to methyl-cyclohexane. Among the prepared Ni/SiO 2 –Al- x catalysts, the Ni/SiO 2 –Al-5 catalyst exhibits the best HDO performance. A 100% m -cresol conversion with the selectivity to MCH of 100% was achieved under the conditions of T  = 250°C, p = 2 MPa, t = 75 min with catalyst (mg)/ m -cresol solution = 2.

研究领域: 催化化学 · 能源化学 · 材料化学 · 工业催化 · 绿色化学
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CANADIAN JOURNAL OF CHEMICAL ENGINEERING · 2025 · IF 1.9

Preparation and selective adsorption performance of F-modified ZSM-5 zeolite for m-cresol and p-cresol

Xudong Wang,Yanyang Wu,Tianyou Wang,Bin Wu,Kui Chen,Lijun Ji

M-cresol and p-cresol, typically produced as mixtures in industrial processes, are crucial chemical intermediates. However, their separation is challenging due to their similar structures and properties. ZSM-5 zeolite has shown potential as an adsorbent for separation, while the performance is yet to be improved. In this study, ZSM-5-F(x) was synthesized via hydrothermal method, incorporating F − ions during the synthesis process. The adsorption behaviour of m-cresol and p-cresol on ZSM-5-F(x) was investigated through static experiments, with ZSM-5-F(8) demonstrating the highest selectivity (9.01). Both ZSM-5-F(0) and ZSM-5-F(8) were characterized using XRD, scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) techniques. In addition, the introduction of F − ions increased the material's electronegativity, as demonstrated by the change in zeta potential from 53.22 to −45.93 mV. Single-component adsorption of m-cresol or p-cresol on ZSM-5-F(0) and ZSM-5-F(8) respectively were investigated in detail. The adsorption of m-cresol on ZSM-5-F(8) showed a non-monotonic phenomenon with a significant decrease after 0.06 mol/L. The thermodynamic parameters including Δ G , Δ H , and Δ S were calculated accordingly. All the values |Δ G |, |Δ H |, and |Δ S | of both components on ZSM-5-F(8) were greater than those on ZSM-5-F(0), suggesting that the introduction of F − ions facilitated the adsorption. Competitive adsorption experiments on both ZSM-5-F(0) and ZSM-5-F(8) were conducted at 298.2 K. The results indicated that the selectivity α p/m on ZSM-5-F(8) increased with increasing initial concentration and laid between 13 and 14. After seven consecutive regeneration cycles, the selectivity (α p/m ) only decreased to 13. This study suggests that ZSM-5-F(8) could be a promising adsorbent for m-cresol and p-cresol in industrial applications.

研究领域: 化学工程 · 材料科学
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