ENVIRONMENTAL SCIENCE & TECHNOLOGY
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2016
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IF 5.393
Ting Liu,Lucheng Xue,Xin Guo,Yu Huang,Chuguang Zheng
To investigate the mechanism of Hg0 adsorption on the α-Fe2O3(001) surface in the presence of HCl, which is considered to be beneficial for Hg0 removal, theoretical calculations based on density functional theory as well as corresponding experiments are carried out. HCl adsorption is first performed on the α-Fe2O3(001) surface, and the Hg0 adsorption on HCl-adsorbed α-Fe2O3(001) surface is subsequently researched, demonstrating that HCl dissociates on the surface of α-Fe2O3, improving the Hg0 adsorption reactivity. With further chlorination of the α-Fe2O3(001) surface, FeCl3 can be achieved and the adsorption energy of Hg0 on the FeCl3 surface reaches −104.2 kJ/mol, representing strong chemisorption. Meanwhile, a group of designed experiments, including Hg0 adsorption on HCl-preadsorbed α-Fe2O3 as well as the coadsorption of both gaseous components, are respectively performed to explore the pathways of Hg0 transformation. Combining computational and experimental results together, the Eley–Rideal mechanism with HCl preadsorption can be determined. In addition, subsequent X-ray photoelectron spectroscopy analysis verifies the appearance of Cl species and oxidized mercury, exhibiting the consistency with experiments.
研究领域:
环境化学
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计算化学
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表面科学
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污染控制
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METALLURGICAL AND MATERIALS TRANSACTIONS B-PROCESS METALLURGY AND MATERIALS PROCESSING SCIENCE
·
2026
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IF 3.1
An Zhuoqing,Liang Weiwen,Gao Yuan,Chen Jiajing
The viscosity of the CaO–MgO–Al 2 O 3 –SiO 2 system containing La 2 O 3 and Fe 2 O 3 was measured by rotation, hot-stage microscopy and hot-stage load methods to investigate the rheological behavior across multiple temperature ranges. In-situ high temperature Raman spectroscopy was employed to quantitatively analyze the microstructure. The results show that with the La 2 O 3 /Fe 2 O 3 ratio varying from 2/0 to 0/2, the viscosity decreases gradually through the multiple temperature ranges, and the viscous flow activation energy also gradually decreases. As the ratio of La 2 O 3 /Fe 2 O 3 decreases, the relative contents of Q 0 , Q 1 and Q 2 increase gradually, and the relative contents of Q 3 and Q 4 decrease significantly. This indicates that both La 2 O 3 and Fe 2 O 3 act as network modifiers and simplify the glass network structure, resulting in a decrease in the degree of network polymerization and viscosity over the multiple temperature range. Compared to La 2 O 3 , Fe 2 O 3 is a more effective network modifier, as it breaks up the silicate network more efficiently and results in a lower overall viscosity. In addition, the microstructure of the melts was quantitatively analyzed by NBO/ T , and a quantified relationship among viscosity, microstructure and temperature was given.
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ADVANCED FUNCTIONAL MATERIALS
·
2016
·Vol. 27
·期 3
·1605011
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IF 11.382
Yaxiong Yang,Yongfeng Liu,Kaichao Pu,Xing Chen,He Tian,Mingxia Gao,Min Zhu,Hongge Pan
In this study, an amorphous Li 2 CO 3 -coated nanocrystalline α-Fe 2 O 3 hierarchical structure is synthesized for the first time using a facile one-step mechanochemical process at room temperature, taking advantage of the concurrence of repeated fracture-cold welding of material's particles and a gas-solid redox reaction. The conformal coating and hierarchical structure significantly increase the cycling durability and rate capability. Typically, a 1–3 nm thick amorphous Li 2 CO 3 layer is conformally coated on Fe 2 O 3 nanocrystallines (≈10 nm in size) that form hierarchically aggregated particles 400–800 nm in size by ball milling α-Fe 2 O 3 with LiH in CO 2 . The prepared Li 2 CO 3 -coated nanocrystalline α-Fe 2 O 3 exhibits highly stable long-term cyclability as it delivers a reversible capacity of 975 mAh g −1 with 99% of retention after 400 cycles at 100 mA g −1 . At a high rate of 3000 mA g −1 , its reversible capacity still remains at 537 mAh g −1 , superior to the uncoated counterpart (311 mAh g −1 ). Moreover, amorphous Li 2 O and Li 2 CO 3 coatings are also similarly produced on Fe 2 O 3 and NiO nanocrystallines, respectively, representing the general applicability of this mechanochemical approach.
研究领域:
材料科学
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电化学
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纳米材料
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能源存储
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固态化学
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JOURNAL OF PHYSICAL CHEMISTRY A
·
2025
·
IF 2.8
Qiyue Xiao,Xiang He,Xi Xi,Zhicheng Ma,Mingsong Dong,Sijie Wen
Heterogeneous reactions of volatile organic compounds (VOCs) with mineral dust can influence secondary aerosol formation in the atmosphere. This study investigated the heterogeneous reactions of C3H6/O3 in the presence of NH3 on α-Fe2O3 particles using a gas-flow system combined with Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) under simulated different relative humidity (RH) conditions. The results indicate that a secondary organic aerosol (SOA) is formed from the appearance of η2(N,O) bands at 1341 cm–1 and R-COOH bands at 1476 and 1608 cm–1. C3H6 reacts with O3 to form the Criegee intermediates (CIs) such as CH3HCOO and CH2OO. Some of these CIs are neutralized with NH3 to form amides, while others react with aldehydes to form intermediates that finally decompose into carboxylic acids. Water molecules play negative potential roles in the formation of SOA on α-Fe2O3 particles. Under continuous RH changes, the formation rate of organic amides increases from 1.07 × 1016 to 2.73 × 1016 ions·g–1·s–1, while the formation rate of carboxylic acids increases from 9.39 × 1015 to 2.11 × 1016 ions·g–1·s–1 with decreasing RH in the range of 80–0%. Furthermore, the reactive uptake coefficient for NH3 in the initial stage increases from (4.85 ± 0.35) × 10–10 to (2.08 ± 0.03) × 10–9 with decreasing RH from 77.4% to 0% during the heterogeneous reaction of C3H6/O3/NH3 on α-Fe2O3 particles under constant RH conditions. The inhibiting effect under high RHs indicates that water molecules are unfavorable for SOA formation due to the consumption of reactant gases and the competitive effect on active sites of α-Fe2O3 particles. These results not only significantly enhance the understanding of the reaction kinetics of C3H6/O3/NH3 on the surface of α-Fe2O3 particles under different RHs but also provide theoretical insights into SOA formation mechanisms under atmospheric pollution conditions.
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Materials Today Chemistry
·
2023
·
IF 7.3
H. Chai,R. Li,L. Gao,H. Niu,J. Jin
The phase interface properties of the p-n junction may profoundly affect its photoelectrochemical (PEC) water oxidation performance. Here, we introduced a non-conjugated polymer functional layer (poly(diallyl-dimethylammonium chloride, PDDA) between the interfaces of the p-n junction (Co 3 O 4 /Gd–Fe 2 O 3 ) to tune the interfacial properties . First, the PDDA modulates the band structure so that the composite photoanode (Co 3 O 4 /PDDA/Gd–Fe 2 O 3 ) has an enlarger band bending than the p-n junction. Then, PDDA passivates the surface trap, which synergizes with Co 3 O 4 to provide more active sites for water oxidation. Furthermore, PDDA improves the PEC water oxidation kinetics. Specifically, PDDA extracts holes and adsorbs water oxidation reactants, thus it efficiently transfers photogenerated holes to Co 3 O 4 , promoting the water oxidation reaction in the positive direction. With these positive modulations, PDDA can further enhance the PEC water oxidation performance of the p-n junction. This conceptual work provides insight into the role of the non-conjugated polymer in PEC water splitting .
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ACS Materials Letters
·
2022
·
IF 11.17
Jiawei Mu,Miao Yu,Helong Jiang,Xiangcun Li,Fangyi Chu,Qiao Hou,Gaohong He
The uncontrollable formation of Li dendrites and the problems arising from it are the major obstacles in the practical application of Li metal batteries. Thereby, it is crucial to induce the uniform dispersion and deposition of Li+. To realize it, we constructed a flexible membrane electrode that facilitated Li+ dispersion by the interwoven conductive porous skeleton and simultaneously promoted Li+ deposition with doped active sites. The skeleton was composed of CNTs cross-linked with polyvinylidene fluoride (PVDF), which ensured the good conductivity and flexibility of membrane, and the −CF2 groups on PVDF chains also accelerated the migration of Li+. The doped Fe2O3 with strong lithiophilicity played a vital role in Li+ deposition. Quasi in situ X-ray photoelectron spectroscopy and in situ X-ray diffraction measurements were employed to reveal the reaction mechanism that Fe2O3 could be partially reduced by Li+ forming LixFe alloy, and reoxidized to amorphous Fe2O3. According to the galvanostatic current test of symmetric battery, the voltage had no significant changed after 1500 h, which proved that multifunctional membrane electrode effectively reduced the effect of Li dendrites. The assembled coin battery delivered an initial capacity of 125.9 mA h g–1 and still maintained at 114.9 mA h g–1 after 200 cycles at 0.5 C, with a capacity decay rate of only 0.048% per cycle. The pouch cell also exhibited excellent cycling stability with a Coulombic efficiency of >99.2% after 70 cycles at 0.5 C. This work provides a novel flexible membrane electrode design in solving the Li dendrites and developing novel electrodes for Li metal batteries.
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ACS Sustainable Chemistry & Engineering
·
2023
·
IF 8.4
Chunmei Li,Sainan Ma,Ming Zhao,Maoxiang Jing,Weiyong Yuan,Changming Li
Hematite (α-Fe2O3) core–cocatalyst shell nanoarchitectures with ultrathin hybrid shells are promising to maximize photoelectrochemical (PEC) water oxidation performance of Fe2O3-based photoelectrodes, but their fabrication presents formidable challenges. For the first time, a wormlike nanostructured α-Fe2O3@Co3O4/graphene quantum dot (GQD) core–hybrid shell nanoarray is synthesized via self-assembly, showing an onset potential of 0.63 V (vs the reversible hydrogen electrode (RHE)) and a photocurrent density of 3.63 mA cm–2 at 1.23 V (vs RHE). This performance is superior to those of reported Fe2O3-based heterojunction photoanodes and among the best reported for Fe2O3-based photoanodes. The outstanding performance is due to the Co3O4/GQD shell significantly promoting charge separation and transfer and hole injection as well as great synergistic effects between GQDs and Co3O4. This work not only fabricates a low-cost photoanode with record-high water oxidation performance and offers scientific insights into the enhancement mechanism but also provides a facile, economical, and universal strategy to self-assemble conformal, ultrathin hybrid shells on three-dimensional (3-D) complex nanostructures, which have broad applications in the fields of energy, environment, and sensing.
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BIOELECTROCHEMISTRY
·
2022
·
IF 5.76
Yun Ni,Hezhong Ouyang,Lulu Yu,Chen Ling,Ziye Zhu,Aolin He,Ruijiang Liu
A label-free electrochemical aptasensor based on magnetic α-Fe 2 O 3 /Fe 3 O 4 heterogeneous hollow nanorods was developed for the detection of cancer antigen 125 (CA125). Magnetic α-Fe 2 O 3 /Fe 3 O 4 heterogeneous hollow nanorods were successfully prepared by the hydrolysis-calcination method, functionalized with polyethyleneimine (PEI), and modified with HAuCl 4 to form magnetic α-Fe 2 O 3 /Fe 3 O 4 -Au nanocomposites with a layer of 5 nm gold nanoparticles (Au NPs) on the surface. The magnetic α-Fe 2 O 3 /Fe 3 O 4 -Au nanocomposites were used to fix the DNA-aptamer probe to amplify the current signal. The intensity of the current signal was proportional to the concentration of CA125, indicating that the sensor was a turn-on sensor. The linear range of the electrochemical aptasensor was 5–125 U/mL ( R 2 = 0.9975), and the limit of detection (LOD) was 2.99 U/mL. The electrochemical aptasensor exhibited favorable specificity, reproducibility, and stability. The analytical performance of the aptasensor in real serum samples was also investigated.
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CHEMOSPHERE
·
2022
·
IF 8.943
Chao Gong,Jinli Zhai,Xi Wang,Wenjie Zhu,Daoli Yang,Yongming Luo,Xiaoya Gao
Herein, a heterogeneous photo-Fenton and photo-catalytic system was constructed using oxide pyrite (FeS 2 /Fe 2 O 3 ) mineral and organic acids including tartaric acid (TA), ascorbic acid (AA), and citric acid (CA). In the proposed system, FeS 2 /Fe 2 O 3 can be successfully activated through irradiation to generate photogenerated carriers, which generated H 2 O 2 in-situ through the reduction reactions between e - and O 2 . The addition of organic acids enhanced the dissolution of iron from FeS 2 /Fe 2 O 3 . Based on the iron and in-situ generated H 2 O 2 , •OH was produced through a photo-Fenton reaction. Furthermore, h + , e - , and •O 2 − , which were generated through the photo-catalytic activation of FeS 2 /Fe 2 O 3 , also played a certain role in the degradation of carbamazepine (CBZ). Therefore, the synergistic photo-Fenton and photo-catalytic reaction improved the degradation of CBZ, with the degradation efficiencies of 86%, 62%, and 68% in FeS 2 /Fe 2 O 3 /TA, FeS 2 /Fe 2 O 3 /AA, and FeS 2 /Fe 2 O 3 /CA systems, respectively. This investigation provides an innovative strategy for the removal of organic pollutants using natural minerals.
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高影响因子
NEW JOURNAL OF CHEMISTRY
·
2023
·Vol. 47
·期 32
·15089-15098
·
IF 3.3
Qixuan Qin,Na Liu,Yan Zhang,Weiyi Bu,Zhijie Zhou,Changhua Hu,Xiaohong Chuai
The sensitivity and selectivity of semiconductor metal oxides can be effectively improved by transition metal doping and noble metal loading. In this work, Ag-loaded p-type Zn-doped Fe2O3 (Ag@Zn–Fe2O3) nanoparticles were synthesized by a combination of a one-step hydrothermal route and a co-precipitation method. The prepared Ag@Zn–Fe2O3 nanoparticles show a peanut-like structure with a size of about 50–150 nm. The Zn doping and the Ag loading can synergistically improve the response of the Fe2O3 nanoparticles to acetone. At the optimum operating temperature (150 °C), the response of the Ag@Zn–Fe2O3 sensor to 100 ppm acetone is 50.2, which is significantly higher than 8.9 and 25.8 corresponding to Fe2O3 and Zn–Fe2O3, respectively. In addition, the Ag@Zn–Fe2O3 sensor exhibits excellent selectivity, good moisture resistance, and long-term stability to acetone. Meanwhile, the possible mechanism of the improved acetone sensing properties is also discussed.
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ACS Applied Materials & Interfaces
·
2021
·
IF 9.229
Yan-Fei Mu,Chao Zhang,Meng-Ran Zhang,Wen Zhang,Min Zhang,Tong-Bu Lu
Up to now, the majority of the developed photocatalytic CO2 reduction systems need to use expensive sacrificial reductants as electron source. It is still a huge challenge to drive the photocatalytic CO2 reduction using water as an electron source. Herein, we report a facile strategy for the construction of direct Z-scheme heterojunction of LF-FAPbBr3/α-Fe2O3, which is manufactured by the in situ and two-step controlled growth of ligand-free formamidinium lead bromide (LF-FAPbBr3) nanocrystals on the surface of α-Fe2O3 nanorods. The matchable energy levels and direct contact between LF-FAPbBr3 and α-Fe2O3 significantly accelerate the interfacial charge transfer, with a charge separation efficiency (ηseparation) of 93%, much higher than that of 11% shown by the ligand-capped FAPbBr3/α-Fe2O3 heterojunction. The resulting efficient separation and raised redox ability of photogenerated carriers endow the LF-FAPbBr3/α-Fe2O3 heterojunction with an outstanding photocatalytic performance for CO2 reduction (to CO and CH4) coupled with water oxidation (to O2), achieving a highest electron consumption rate of 175.0 μmol g–1 h–1 among the reported metal halide perovskite-based photocatalysts, which are 5 and 11 times higher in comparison with those of sole LF-FAPbBr3 and ligand-capped FAPbBr3/α-Fe2O3, respectively.
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CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Jing Deng,Cheng Ye,Anhong Cai,Linyi Huai,Shiqing Zhou,Feilong Dong,Xueyan Li,Xiaoyan Ma
As a typical iron-based oxide semiconductor with abundant reserves, α-Fe 2 O 3 has been widely used in the domain of photocatalysis and environmental remediation. Here, sulfur doped α-Fe 2 O 3 (S-α-Fe 2 O 3 ) has been successfully fabricated through coprecipitation, hydrothermal and calcination processes and applied to activate persulfate (PS) for carbamazepine (CBZ) degradation under UV irradiation. Systematic characterizations were conducted to analyze the morphology, structure and chemical composite of S-α-Fe 2 O 3 . UV/PS/S-α-Fe 2 O 3 process showed remarkably enhanced photocatalytic performance for CBZ degradation. The degradation rate constant (7.78 × 10 −2 min −1 ) was about 2.2 and 14.1 times as high as that of UV/PS/α-Fe 2 O 3 (3.60 × 10 −2 min −1 ) and UV/PS (5.53 × 10 −3 min −1 ) processes, respectively. With increasing PS concentration and photocatalyst dosage, the removal efficiency of CBZ both increased. UV/PS/S-α-Fe 2 O 3 process can efficiently and steadily operate in a wide pH range of 3.0–8.0. The introduction of water matrix species (i.e. chloride, bicarbonate, nitrate and humic acid) exerted different effects on CBZ degradation. S-dopant was doped via forming ≡Fe III -SO 4 2- bond on S-α-Fe 2 O 3 surface, and doped sulfur functioned as surface electrons trapping centers derived from DFT study. The band gap value of S-α-Fe 2 O 3 was reduced and the separation efficiency of photogenerated electrons and holes was improved. Hydroxyl radicals, sulfate radicals, superoxide radicals and holes all contributed to CBZ destruction. Furthermore, two major routes of CBZ degradation were proposed as hydroxylation and deamination, then followed by decarbonxylation, ketonization and ring cleavage based on the results of HPLC-MS and DFT calculation.
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危险品化学品经营许可证（带存储）