SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2017
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IF 2.536
Xu Tang,Juan Han,Yun Wang,Xu Bao,Liang Ni,Lei Wang,Longhua Li
A fluorescence probe has been designed and synthesized, and applied with a combined theoretical and experimental study. Research suggests that the probe can be used to sense Zn 2 + and Hg 2 + through selective turn-on fluorescence responses in the aqueous HEPES buffer (0.05M, pH = 7.4). The limit of detection (LOD) were determined as 1.46 × 10 − 7 M (Zn 2 + ) and 2.50 × 10 − 7 M (Hg 2 + ). Moreover, based on DFT, the geometry optimizations of probe 1, [1-Hg 2 + ] complex and [1-Zn 2 + ] complex were carried out using the Gaussian 09 program, in which the B3LYP function was used. The electronic properties of free probe 1 and the metal complexes were studied based on the Natural Bond Orbital (NBO) analyses. The probe 1 has also been successfully applied to detection of Zn 2 + and Hg 2 + in living cells.
研究领域:
化学
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生物化学
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材料科学
✓ 已验证
DOI
高影响因子
AICHE JOURNAL
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2025
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IF 4
Hui Wang,Yifan Jin,Yaxin Jin,Siyu Kuang,Tianxiang Yan,Xinyue Wang,Xiao Wang,Wenquan Cui,Sheng Zhang
Electrochemical carbon dioxide reduction reaction (CO 2 RR) is one of the most prospective strategies to achieve carbon neutrality. Multi-carbon compound (C 2+ ) products have higher commercial value and wider applications, among which ethanol is a widely used chemical feedstock and high energy density fuel. Here, we prepared nitrogen-doped carbon nanofibers containing copper-zinc double atoms using the electrospinning technique and controlled the content of both metal atoms by varying the calcination temperature. This catalyst exhibited ultra-high selectivity for ethanol at low potentials. Ethanol selectivity at −0.3 V versus RHE was more than 60% with the total alcohol selectivity of over 80%. Meanwhile, we explored the ethanol production pathway by combining density-functional theory (DFT) and ATR-FTIR spectroscopy, and found that OCCO* intermediates were most abundant for the optimal ratio of Cu to Zn atoms, lowering the energetic barriers to ethanol formation, and thus improving the selectivity of ethanol production.
研究领域:
材料科学
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催化化学
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环境科学
✓ 已验证
产品关联
DOI
高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
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2022
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IF 24.319
Xiao Yu,Mengyi Shi,Yixuan Fan,Lixia Yang,Jie Zhang,Wei Liu,Weili Dai,Shuqu Zhang,Lei Zhou,Xubiao Luo,Shenglian Luo
Mn 2 O 3 is an exceptional earth-abundant mineral that has been extensively applied in catalytic oxidation because of the strong redox couples like Mn 3+ /Mn 2+ and Mn 4+ /Mn 3+ exposed on Mn 2 O 3 surface. Herein, the catalytic activity of Mn 2 O 3 in photothermal degradation of toluene was regulated by halogens including F - , Cl -, and Br - . As the electronegativity ordered in F (3.98) > O (3.44) > Cl (3.16) > Br (2.96), F - doped Mn 2 O 3 overperforms Cl - doped and Br - doped Mn 2 O 3 in decomposing toluene. DFT theoretical calculation illustrates that F - attracts the shared electrons from Mn to itself, the deviated charge center stretches the adjacent Mn-O bonds and boosts the generation of abundant oxygen vacancies, helping to strengthen the catalytic activity of Mn 2 O 3 . Conversely, Mn-O bonds are shortened by Cl - and Br - that have lower electronegativity than O. The multiple electrons circling Cl - and Br - push Mn towards O and squeeze Mn-O bonds, resulting in the formation of passivated Mn 2 O 3 . In conjunction with Mn redox couples and oxygen vacancies, 99% of 400 ppm toluene can be eliminated by F - doped Mn 2 O 3 , corresponding mineralization rate is high up to 95.8%.
研究领域:
催化
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环境科学
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材料科学
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化学工程
✓ 已验证
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2023
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IF 8.6
Yongli Shi,Jie Feng,Zhaoxin Zhang,Ningning Cao,Jiahao Li,Heping Li,Linji Li,Quanxian Hua,Qun Ma,Kai Zhang
Polypyrrole-based adsorbents have emerged in removing Cr(VI) from wastewater based on their reduction, chelation, electrostatic attraction and ion exchange. However, it is still a formidable challenge to remove metal cations simultaneously due to electrostatic repulsion. In fact, metal ions originating from industrial activities such as chemical manufacturing and metal electroplating are always complex and multifarious. Here, we report a EDTA-crosslinking-chitosan/polypyrrole composite (EDTA-CS/PPy) with multiple types of adsorption sites (carboxyl, hydroxyl, amino), successfully realizing simultaneous removal of Cr(VI) anions and other metal cations. The maximum adsorption capacities of Cr(VI), Cu(II), Pb(II) and Cd(II) reach up to 401.25, 59.03, 77.81 and 68.31 mg/g, respectively. The adsorption mechanism is attributed to coupling interactions of the reduction, chelation, electrostatic attraction and ion exchange between targeted metal ions and EDTA-CS/PPy, investigated by experiments and DFT theories. Notably, the adsorption capacity of EDTA-CS/PPy keeps stability after three adsorption–desorption cycles. These findings may promote potential applications of EDTA-CS/PPy adsorbents in highly efficient treatment of coexisting toxic metal ions from wastewater.
研究领域:
环境科学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2024
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IF 9.4
Jiahui Jiang,Bingbing Gong,Guancheng Xu,Ting Zhao,Hui Ding,Yuying Feng,Yixuan Li,Li Zhang
CeO 2 has been identified as a significant cocatalyst to enhance the electrocatalytic activity of transition metal phosphides (TMPs). However, the electrocatalytic mechanism by which CeO 2 enhances the catalytic activity of TMP remains unclear. In this study, we have successfully developed a unique CeO 2 -CoP-1–4 multishell microsphere heterostructure catalyst through a simple hydrothermal and calcination process. CeO 2 -CoP-1–4 exhibits great potential for electrocatalytic oxygen evolution reaction (OER), requiring only an overpotential of 254 mV to achieve a current density of 10 mA cm −2 . Moreover, CeO 2 -CoP-1–4 demonstrates excellent operating durability lasting for 55 h. The presence of CeO 2 as a cocatalyst can regulate the microsphere structure of CoP, the resulting multishell microsphere structure can shorten the mass transfer distance, and improve the utilization rate of the active site. Furthermore, in situ Raman and ex situ characterizations, and DFT theoretical calculation results reveal that CeO 2 can effectively regulates the electronic structure of Co species, reduces the reaction free energy of rate-limiting step, thus increase the reaction kinetic. Overall, this study provides experimental and theoretical evidence to better comprehend the mechanism and structure evolution of CeO 2 in enhancing the OER performance of CoP, offering a unique design inspiration for the development of efficient hollow heterojunction electrocatalysts.
研究领域:
材料科学
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电化学
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催化
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纳米技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MINERALS ENGINEERING
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2021
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IF 4.765
Kai Jia,Yuxia Yi,Wuju Ma,Yijun Cao,Guosheng Li,Shiqiang Liu,Taojin Wang,Nan An
Ion flotation was used to remove copper(II), lead(II) and chromium(III) from simulated wastewater using a new biodegradable biosurfactants, namely, sodium N-lauroylsarcosinate (LS), and the synthetic surfactant sodium dodecyl sulfate (SDS) as collectors. The use of LS resulted in better removal of metal ions than that achieved with SDS. It was found that the removal efficiency of single metal ions can reach more than 95%. The results showed that the complex formed by surfactant and metal ion was flocculent and loose in structure, which may be the main reason for the slow ion flotation speed. XPS and IR analysis showed that there was a complex reaction between the sulfonic group of SDS and the carboxyl group of LS with metal ions. These findings indicate that the new biosurfactant LS has a better treatment effect on wastewater containing heavy metal ions and compared with industrial surfactants (such as SDS), LS is degradable and environmentally friendly, potentially leading to better industrial application. DFT theory further confirmed the experimental results. The calculated results show that LS has higher complexation ability for Pb(II) than dose SDS. LS reacts with Pb to form a four-membered ring complex containing two O atoms, which has higher stability than the complex containing SDS.
研究领域:
环境科学
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化学工程
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
CHEMOSPHERE
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2022
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IF 8.943
Hui Su,Xudan Dou,Dandan Xu,Li Feng,Yongze Liu,Ziwen Du,Liqiu Zhang
The massive use of personal medicines makes them widely enter the aquatic environments and cause pollution, drawing a great deal of attention over the last few years. In this study, a novel nano Fe 0 -loaded superfine powdered activated carbon (Fe 0 @SPAC) was prepared via a simple ball milling method. Fe 0 @SPAC showed a rapid and effective removal for aqueous carbamazepine (CBZ) via the process of synergistic adsorption and persulfate (PDS) activation. The removal efficiency of CBZ (30 mg L −1 ) could be up to 96% by Fe 0 @SPAC (0.05 g L −1 ) with the presence of PDS (2 mM), and the maximum pseudo-first-order rate constant was 0.12 min −1 . The performance of Fe 0 @SPAC was superior to other reported iron-bearing activator materials, and its dosage was much lower. Fe 0 @SPAC was also effective to remove other typical drug pollutants and had excellent reusability in five cycles. The loaded Fe 0 could activate PDS to generate OH and SO 4 − , which played the major role for CBZ removal. It is interesting that carbon base of Fe 0 @SPAC could also activate PDS via surface defects , making the minor contribution to CBZ degradation. Besides, Fe 0 @SPAC showed rapid and high adsorption for CBZ due to the superfine particle diameter, partially contributing to CBZ removal. Finally, the possible break sites of CBZ and its degradation pathway were proposed based on DFT theoretical calculation and product identification. Fe 0 @SPAC would be a promising material for the removal of drug pollutants, and this study may help understand the mechanisms of synergistic adsorption and persulfate activation by carbon composite material.
研究领域:
环境科学
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水处理
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材料科学
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化学工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）