FUEL
·
2025
·
IF 7.5
Xiaohui Wang,Zhilong Cheng,Bingrong Liu,Huiyi Liu,Xin Fang,Ruiqi Chai,Lishuang Ma,Yuchao Lyu,Jianye Fu,Xinmei Liu
Methane dehydroaromatization (MDA) was a promising technology for the synthesis of high value-added aromatics through natural gas. Fe/ZSM-5 catalysts were widely used in MDA reaction. However, its catalytic mechanism remained ambiguous. In this work, a novel one-pot strategy was developed for the preparation of Fe/ZSM-5 catalysts, which can delicately control the iron species and acidic property of Fe/ZSM-5 catalysts. In-situ DRIFTS and DFT calculation demonstrated that MDA followed a bifunctional mechanism and the second C–H bond breaking process of CH 4 was the rate-determining step, where methane underwent coupling and dehydrogenation at the iron active sites to generate intermediate species (ethylene), and Brønsted acid sites played a key role in determining the selectivity of aromatics. Moreover, CO-pulse chemisorption revealed the quantitative synergistic effect between metal active sites and Brønsted acid sites. Catalysts with highly dispersed iron oxide and proper density of Brønsted acid sites exhibited the best catalytic performance. This study elucidated the catalytic roles of iron species and Brønsted acid sites in Fe/ZSM-5 catalysts in MDA and provided guidance for the future development of highly active MDA catalysts.
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DOI
高影响因子
Materials Today Communications
·
2025
·
IF 4.5
Nanqing Zhang,Xianhua Bian,Zhenglong Zhu,Xin Huang,Ping-an Yang
To effectively absorb electromagnetic waves and reduce the impact of electromagnetic radiation on the health of residents and the normal operation of electronic devices, core-shell nanocomposite fibers (Fe NWs@SiO 2 @Ag) were successfully prepared by the liquid-phase hydrolysis method. The microwave absorption properties of core-shell nanocomposite nanofibers with different ratios were tested and analyzed using the coaxial method. The results show that the sample with a molar ratio of Fe:SiO 2 :Ag of 1:0.1:1 has the best comprehensive performance. This sample exhibits excellent microwave absorbing performance. When the mass filling fraction is 25 wt%, its minimum reflection loss (RL min ) can reach −61.55 dB, and the effective absorption bandwidth (EAB) can reach 3.52 GHz. The excellent microwave absorbing performance can be attributed to the interfacial polarization effect of the core-shell nanocomposite structure, the magnetic loss and conduction loss of each layer of materials, and the small-scale effect caused by the one-dimensional structure. This study can provide a methodological reference for the preparation of high-performance absorbing materials.
研究领域:
材料科学
·
纳米技术
·
电磁学
·
微波工程
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产品关联
DOI
高影响因子
Materials Today Physics
·
2021
·
IF 9.298
A. Wang,Y. Hu,H. Wang,Y. Cheng,T. Thomas,R. Ma,J. Wang
To improve the structure-dominant activity, rational design of oxide-based materials remains challengeable in bifunctional oxygen electrocatalysis , especially from the perspective of electronic modulation. Herein, we demonstrate that the electron configuration of inverse spinel NiCo 2 O 4 can be activated by controllable substitution of Fe into the octahedral centers. Fe-substituted NiCo 2 O 4 nanoparticles embedded in porous N-doped carbon nanofibers (NiCo 2- x Fe x O 4 /NCNF), which were synthesized by scalable electrospinning, exhibit a correlated relationship with Fe atomic content and achieve an optimal bifunctional activity (ΔE = 0.74 V) at 0.25 at.%. Theoretical calculation shows that the substitution of Co 3+ by Fe 3+ modulates the electrons filling in e g orbital of octahedral cation via delocalizing the electrons around O anions. The increased density of states around the Fermi level further regulate the adsorption energy of oxygen intermediates and lead to better bifunctional performance than commercial Pt/C + RuO 2 in rechargeable Zn-air battery. This work provides a new pathway to develop cost-effective bifunctional electrocatalysts for electrochemical energy storage and conversion .
研究领域:
材料科学
·
电化学
·
储能与转换
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2022
·
IF 16.744
Fawen Liang,Zhang Liu,Xueding Jiang,Jiesen Li,Kaibang Xiao,Weicheng Xu,Xin Chen,Jinzhi Liang,Zhifeng Lin,Meng Li,Xiaolian Wu,Hailong Wang
In this study, NaOH-modified biochar supported Fe/Mn bimetallic composite (Fe-Mn/AW-BC) was prepared to remove tetracycline (TC) through activating peroxymonosulfate (PMS). Results showed that about 97.9 % of TC was degraded and the rate constant of Fe-Mn/AW-BC + PMS system was 37 folds higher than BC + PMS system. Experimental results confirmed that both radical and non-radical pathway were contribute to the catalytic system. Density functional theory (DFT) results also suggested that Fe-Mn/AW-BC sample was favorable for adsorbing PMS based on the length O O bond from PMS and the E ads of catalysts. The superior activation ability was ascribed to the accelerating formation of reaction active species and other oxidation species by bimetallic structures of Fe-Mn and oxygenated functional groups of BC. Additionally, the redox cycles of Fe 3+ /Fe 2+ and Mn 3+ /Mn 2+ under Fe-Mn-BC synergism promoted the generation of the radicals, whereas the carbon shell effectively inhibited metals leaching of Fe-Mn/AW-BC, and 77.8 % of TC can be still removed within 60 min after five consecutive cycles. Notably, Fe-Mn/AW-BC system has special characteristic of wide pH usable range and broad-spectrum adaptability towards various organic pollutants and various water environments. Based on intermediate identification and Fukui function calculation, the degradation pathways of TC were also proposed. This study highlights the applications of biochar for the environmental catalysis.
研究领域:
环境科学
·
催化材料
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DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2019
·
IF 6.97
Kuangfu Huang,Ruohao Dong,Chao Wang,Wen Li,Hongxia Sun,Baoyou Geng
Design and synthesis of highly efficient, stable, and low-cost catalysts have a crucial role in the study of electrolytic water. In this work, a novel Fe–Ni layered double hydroxide (LDH) material with homogeneous heterostructures is successfully synthesized by a two-step hydrothermal method. Compared with the ordinary Fe–Ni LDH arrays prepared by one step, this structure has a rougher surface, so it has a more extensive active area, thus providing more active sites. Due to the synergistic effect of different elements and more exposure of active sites, the catalytic effect of this material for water splitting is outstanding. The post-optimized FeNi@FeNi electrode exhibits extraordinary OER (oxygen evolution reaction) and HER (hydrogen evolution reaction) performance with OER overpotentials of 193, 231, and 306 mV and HER overpotentials of 127, 173, and 253 mV when the current density is 10, 20, and 50 mA·cm–2, respectively. The improved electrolytic water performance reveals that the design of homogeneous heterostructures is maybe an alternative route to exploit high-efficiency catalysts and promote the application of nonprecious metal catalytic materials.
研究领域:
材料科学
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电化学
·
催化
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DOI
高影响因子
ACS Applied Materials & Interfaces
·
2025
·
IF 8.2
Qifeng Li,Wenzhi Jiang,Xiaoling Wu,Hongming Lou,Xueqing Qiu,Zhixian Li
Single-atom nanozymes (SAzymes) precisely emulate enzyme catalytic centers at the atomic level, offering exceptional catalytic efficiency and selectivity. Inspired by the heme structure of natural enzymes, this study introduces chlorine axial coordination into the Fe–N3O single-atom nanozyme, constructing a unique Fe–N3O–Cl catalytic site (Fe–N/O/Cl–C SA). As a result, the Fe–N/O/Cl–C SA demonstrates remarkable peroxidase-like activity toward the substrate 3,3′,5,5′-tetramethylbenzidine (TMB), achieving a catalytic efficiency 1.96-fold greater than horseradish peroxidase (HRP). Density functional theory (DFT) calculations further reveal that axial chlorine coordination significantly reduces the reaction energy barrier, complementing the planar oxygen coordination, which shortens the activation pathway for H2O2. Moreover, the Fe–N/O/Cl–C SA efficiently catalyzes the oxidative depolymerization of birch lignin under mild conditions, producing high-value aromatic monomers such as vanillin and cinnamaldehyde. These findings underscore the critical role of chlorine axial coordination in enhancing catalytic performance and highlight the great potential of single-atom nanozymes in biomass conversion and renewable energy applications.
研究领域:
纳米酶
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催化
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生物质转化
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可再生能源
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无机化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
Journal of Energy Chemistry
·
2022
·
IF 13.599
Yuelong Xu,Ran Wang,Jingyue Wang,Yaru Zhang,Tifeng Jiao
Hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) serve as the most promising electrochemical processes for renewable energy. Developing multifunctional electrocatalysts with high performance for HER, OER and ORR still remains a challenge. Herein, we report a facile method to prepare P, N-co-doped porous carbon encapsulated Fe-CoP (A-Fe-CoP/CPN) electrocatalyst through freeze drying, carbonization, and KOH activation. The acquired A-Fe-CoP/CPN possesses abundant pores with large surface area, which provides sufficient defect-rich sites for HER, OER, and ORR, in alkaline or acidic electrolytes. The A-Fe-CoP/CPN shows low overpotential and good stability for HER and OER in alkaline electrolyte. Density functional theory (DFT) computations reveal that the addition of Fe greatly facilitates the rate-determining step and overall catalytic pathway for both HER and OER. A-Fe-CoP/CPN also exhibits low half-wave potential ( E 1/2 ) for ORR, which indicates an enhanced performance than that of the noble Pt/C catalyst. Zn-air battery equipped with the A-Fe-CoP/CPN catalyst exhibits a high energy density (849 mAh g −1 ) and a long-time stability at 5 mA cm −2 . This finding not only offers a facile strategy to prepare porous carbon materials with defect-rich sites, but also provides guidance for developing multifunctional electrocatalysts for wide electrochemical reactions.
研究领域:
材料科学
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电化学
·
能源科学
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DOI
高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2025
·
IF 4.6
Feijin Zhou,Wenying Cui,Chenggang Liu,Cheng Yao,Chan Song
The excessive presence of S 2− poses siganificant risks to human health and the environment. Therefore, the development of novel S 2− sensing methods remains crucial in daily life. Herein, Fe–N hollow mesoporous carbon nanospheres (Fe–N HMCNSs), characterized by a high specific surface area and excellent stability, were successfully prepared. Further investigation revealed that the colorimetric substrates such as 2,2′-azino-bis(3-ethylbenzthiazoline-6-sulphonate) (ABTS), o-phenylenediamine (OPD), and 3,3′,5,5′-tetramethylbenzidine (TMB), can be effectively oxidized by Fe–N HMCNSs into colored products. Based on the oxidase-like activity of Fe–N HMCNSs, a facile colorimetric method for S 2− assay was constructed for the first time. The recognition of S 2− could be fulfilled by recording the absorbance intensity and observing color changes in nanozymes-based catalytic systems. This method is simple, cost-effective, and environment-friendly, offering a wide linear range (0.25–25 µM) and a low detection limit (42.2 nM) for S 2− assay. Furthermore, integration of smartphone-based RGB analysis enabled the portable and convenient S 2− sensing using the developed colorimetric sensor. The remarkable stability of Fe–N HMCNSs under harsh conditions endows their potential applications in the fields of food safety and environmental protection.
研究领域:
环境科学
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分析化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2021
·Vol. 23
·期 8
·4690-4699
·
IF 3.676
Zhengyan Zhao,Wei Liu,Yantao Shi,Heming Zhang,Xuedan Song,Wenzhe Shang,Ce Hao
We report a combination of experimental and computational mechanistic studies for the photoreduction of CO2 to CO with water, catalyzed by single-atom Fe supported on graphitic carbon nitride (g-C3N4). Density functional theory (DFT) and time-dependent DFT (TDDFT) methods were utilized to explore the behavior of single-atom Fe in g-C3N4, which is of vital importance to the understanding of the CO2 reduction reaction (CO2RR) mechanism. The calculation results reveal that the rate-limiting step of the hydrogen-bonded complex in the absence of Fe atoms is the cleavage of C–O bonds in COOH radicals during the whole CO2RR, which includes the photophysical and photochemical processes. The presence of Fe atoms not only activated CO2 in the ground state and increased the rate constant of the limiting step in the photophysical process, but also functioned as the catalytic active center, lowering the reaction barrier of the C–O bond cleavage in COOH˙ in the photochemical process and resulting in improved photocatalytic activity. In addition, DFT calculations further demonstrated that the electron and proton transfer involved in the photophysical and photochemical processes is closely related to and induced by the hydrogen bonds in the excited state.
研究领域:
材料科学
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催化化学
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环境科学
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DOI
高影响因子
RSC Advances
·
2022
·Vol. 12
·期 46
·30145-30156
·
IF 4.036
Haoming Ning,Zhi Zhang,Chunhai Shi,Xiaolei Ma,Jian Li,Hongyi Zhu,Jiawei Hu
In this study, Fe/N codoped porous graphitic carbon derived from macadamia shells was prepared at different temperatures as cathodic catalysts for microbial fuel cells (MFCs), with K2FeO4 as a bifunctional catalyst for porosity and graphitization. The catalyst prepared at 750 °C (referred to as MSAC-750) showed a large specific surface area (1670.3 m2 g−1), graphite structure, and high pyridine-N and Fe-NX contents. Through the electrochemical workstation test, MSAC-750 shows excellent oxygen reduction reaction (ORR) activity, with an onset potential of 0.172 V and a half-wave potential of −0.028 V (vs. Ag/AgCl) in a neutral medium, and the ORR electron transfer number is 3.89. When applied to the MFCs as cathodic catalysts, a higher maximum power density and voltage of 378.68 mW m−2 and 0.425 V were achieved with the MSAC-750 catalyst and is superior to that of the Pt/C catalyst (300.85 mW m−2 and 0.402 V). In this case, a promising method is hereby established for the preparation of an excellent electrochemical catalyst for microbial fuel cells using inexpensive and easily available macadamia shells.
研究领域:
材料科学
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环境工程
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能源科学
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DOI
PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2022
·
IF 16.744
Yihong Wu,Lei Song,Maofeng Shi,Chuhan Gu,Jiaxian Zhang,Jingyu Lv,Lili Xuan
Despite the strict management of eutrophic waters globally, the release of phosphorus (P) from sediments maintains the eutrophic state of water bodies and poses a serious challenge to their management. Ca/Fe–LDH was synthesized with natural zeolite (NZ) by using a co-precipitation method (denoted as CFL-Z) to solve this problem. Results showed that Ca/Fe–LDH was successfully loaded onto the surface and inside the pores of NZ. The maximum P adsorption capacity value of CFL-Z was 46.7 mg/g under the mechanisms of electrostatic attraction, ligand exchange, and ion exchange. In incubation experiments, the addition of 6 % CFL-Z into P-contaminated sediments reduced P concentrations in overlying and interstitial water to 0.013 (97.3 % reduction) and 0.358 (82.1 % reduction) mg/L, respectively. In addition, unstable P forms (NH 4 Cl-P and BD-P) in sediments were converted into stable P forms (HCl-P and Res-P, respectively). Subsequent long-term anoxic experiments showed that CFL-Z capping sediments exhibited better inhibition of sediment P release compared with CFL-Z amendment sediments and was efficient and stable. Microbial community analysis showed that CFL-Z amendment and capping reshaped the microbial community structure, and different functional bacteria influenced the stability of sediment P. This work showed that CFL-Z overlays were considered to have potential applications in sediment P fixation, providing a new way to improve the P-binding capacity of natural mineral-like materials and resolve P-contaminated sediments.
研究领域:
环境科学
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生态学
·
微生物学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2025
·
IF 9
Mian Li,Lian-Yu Qiu,Tian-Yang Zhang,Bin Xu,Dan Yang,Ting Ye,Heng Luo
Advanced oxidation processes (AOPs) based on Fe 2+ /persulfate (PS) have been widely applied in water treatment but face critical challenges: inefficient radical utilization due to excess Fe 2+ scavenging, unsustainable reactivity from irreversible Fe 2+ -to-Fe 3+ conversion, and ambiguous dominant reactive species (e.g., SO 4 − / OH vs. high-valent iron). Ferric oxalate complexes address these limitations by enabling light-driven iron photoreduction and the Fe 2+ /Fe 3+ cycle. However, direct comparisons of degradation efficiency, mechanisms, and environmental risks between Fe 2+ /PS and UV/Fe(C 2 O 4 ) 3 3− /PS remain scarce. Using iohexol as a model, this study directly compared the two systems. The UV/Fe(C 2 O 4 ) 3 3− /PS system achieved 98.8 % iohexol degradation in 60 min (vs. 69.9 % for Fe 2+ /PS) and reduced iron sludge by 70–80 %. Both systems relied on SO 4 − and OH, but UV/Fe(C 2 O 4 ) 3 3− /PS enhanced radical yield via photocatalytic iron cycling, whereas Fe 2+ /PS depended on Fe(IV). In Fe 2+ /PS, contributions were Fe(IV) (29.4 %) > SO 4 − (25.9 %) > OH (20.2 %); in UV/Fe(C 2 O 4 ) 3 3− /PS, SO 4 − (63.6 %) > OH (23.7 %) > Fe(IV) (23.7 %). Electrical energy per order (EE/O) analysis showed UV/Fe(C 2 O 4 ) 3 3− /PS consumed 1.166 kWh mM −1 , 60.2 % lower than Fe 2+ /PS (2.524 kWh mM −1 ). Acute toxicity tests with Vibrio fischeri exhibited 67.7 % inhibition in Fe 2+ /PS, significantly higher than 36.4 % in UV/Fe(C 2 O 4 ) 3 3− /PS. Ecological Structure-Activity Relationships (ECOSAR) modeling and disinfection by-products (DBPs) risk assessment further confirmed lower risks in UV/Fe(C 2 O 4 ) 3 3− /PS, with 50 % lethal concentration ((LC 50 ) for aquatic organisms 2.3-fold higher and genotoxicity potency 41.7 % lower than Fe 2+ /PS. These results bridge the efficiency-risk gap between the two systems and offer a three-dimensional (efficiency-cost-safety) framework for AOP selection.
研究领域:
环境工程
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水处理
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化学氧化
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毒理学
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自由基化学
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污染控制
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高级氧化工艺
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能源效率
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）