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AICHE JOURNAL · 2024 · IF 3.5

Spin modulation of single Fe atoms with thiolate-poisoned Pd nanoclusters for highly efficient ammonia synthesis

Bin Zhang,Chen Yang,Yunjiao Jia,Guohui Nie,Guidong Yang

Nitrate reduction toward ammonia is pivotal in energy and environmental domains but faces challenges in achieving simultaneous high selectivity and activity. Manipulating interactions between intermediates and metal species is deemed effective for catalytic enhancement. In this study, a uniformly configured Fe 1 -N 4 single-atom catalyst with four-coordination was synthesized. Subsequent deposition of thiol-poisoned Pd nanoclusters provided a platform to investigate the neighboring effect of Pd nanoclusters, excluding activity influences from Pd catalysts. Through this neighbor engineering, the Fe 3d electron spin configuration shifted from low spin to medium spin (MS). Experimental and theoretical analyses affirmed that MS Fe species optimized nitrate reduction by enhancing the *NO desorption process. This spin-modulated Fe single-atom catalyst demonstrated superior activity (392.16 mmol −1 g cat −1 h −1 , ~40 mol −1 g Fe −1 h −1 ) and a Faraday efficiency of 98.6% at −0.5 V vs. RHE, surpassing reported values. This study presents a promising strategy for nitrogen-chemistry transition metal catalysts.

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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Spinel-supported Fe-based catalysts for H2 production via catalytic methane decomposition: Experimental and theoretical studies

Wenhan Zhao,Yingjie Li,Zhiwei Chu,Duo Xu,Kuihua Han,Zirui He

Catalytic methane decomposition (CMD) process has garnered significant attention for CO 2 -free hydrogen production. Fe catalyst has been widely investigated due to its low-cost and environmentally friendly features, but is prone to rapid deactivation due to elevated temperatures and coke deposition. To address these limitations, we synthesized a series of spinel-supported Fe catalysts with varying Fe/Mg/Al ratios via the sol–gel method. These catalysts were evaluated in a fixed-bed reactor, revealing that CMD performance depends significantly on Fe positioning within the spinel lattice in the as-prepared catalysts. Methane conversion was optimal and stable when Fe occupied octahedral sites, achieving 86.7 % CH 4 conversion and 92.9 % H 2 concentration in the outlet gas at 850 °C and 2 L g cat −1 h −1 . The mesoporous spinel structure enhances high-temperature stability and improves coke tolerance, which also contributed to additional layers of multi-walled carbon nanotubes. Density functional theory (DFT) calculations further identified the spinel-supported Fe catalysts as top performers. The energy barriers for the CMD process on Fe/MgAl 2 O 4 (1   1   1) and Fe/MgAl 2 O 4 (1   0   0) were lower than those on Fe(1   1   0). The difference charge density and Bader charge results of CH adsorption and dissociation on the structures, which was the rate-limiting step, demonstrated that the spinel support facilitated the efficient transportation and placement of electrons to the Fe cluster, thereby promoting C–H bond breaking. These findings offer novel insights into the design of cost-effective CMD catalysts with stable catalytic performance and high coke tolerance.

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JOURNAL OF ALLOYS AND COMPOUNDS · 2025 · IF 6.3

Construction of air/SiO2@Fe/C yolk-shell nanospheres for boosted low frequency electromagnetic wave absorption

Xuexue Zhang,Jing Wang,Weiwei Wang,Cao Wu,Chang Liu,Hailiang Deng,Liyan Wei,Weihua Gu,Wenbo Du,Yanning Chen,Hongwei Liu,Xun Cao

Using air/SiO 2 @Fe/C yolk-shell nanospheres (NSs) absorbers as a carrier, this research studies the coupling relationship between low-frequency electromagnetic wave (EMW) absorption performance and construction of materials with dual-sized pores and dual-component. Endured via synergistic process of pyrolysis and etching, the sizes of large cavities (∼ 200 nm) and mesopores (∼ 10 nm) were finely tuned at near-atomic scales. In addition, plenty of polarization attenuation structures (e.g., cavities/carbon, cavities/silica, iron/carbon and defects) were also generated. Results revealed that construction of multi-scale pores has slender contribution on the peak reflection loss (RL min ) values, while EMW absorption in the low-frequency range was obviously enhanced. The resulted H12 sample presented a resonance reductions at 6.72 GHz with the RL min value of −22.4 dB, which shifted ∼9.8 GHz towards lower frequencies compared to H0 (-20 dB, 16.52 GHz). This case can be elucidated via the resonance mechanism of cavity, where the air/SiO 2 @Fe/C yolk-shell NSs function as dielectric resonators. This work offers a novel way to design the micro/nano-scale pores in carbon-based EMW-absorbing materials, and a promising approach to develop materials designed for low-frequency EMW absorption.

CAS / MDL: 1310-73-2 1336-21-6
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Surfaces and Interfaces · 2025 · IF 6.3

A sustainable phosphorization treatment on the high-temperature oxidation resistance of Nd-Fe-B magnetic powders

Wei Cai,Xinqi Zhang,Jianwei Zheng,Jingwu Zheng,Rongyao Li,Haibo Chen,Liang Qiao,Yao Ying,Wangchang Li,Jing Yu,Juan Li,Shenglei Che

To address the operational safety hazards associated with using high-concentration inorganic phosphoric acid as a surface treatments to enhance the high-temperature oxidation resistance of Nd-Fe-B magnetic powders, this study innovatively proposes an environmentally friendly organic phosphonic acid (methylene diphosphonic acid, MDPA) as an alternative solution. By comparing the effects of inorganic phosphoric acid and MDPA surface treatments on the magnetic properties and thermal stability of magnetic powders, it was found that phosphating-treated samples exhibited slight decrease in coercivity H cj and maximum magnetic energy product (BH) max at room temperature compared to untreated samples. However, at 340 °C, the (BH)max and Hcj of untreated samples dropped sharply by 98.55 % (from 4.97 to 0.07 MGOe) and 92.72 % (from 9.62 to 0.70 kOe), respectively. In contrast, the inorganic phosphate-treated samples showed only a slight decline of 13.55 % (from 4.53 to 3.92 MGOe) and 1.22 % (from 9.39 to 9.28 kOe). The MDPA-treated samples exhibited the best thermal stability, with minimal losses in both (BH)max and Hcj, decreasing by only 6.88 % (from 4.66 to 4.34 MGOe) and 0.69 % (from 9.43 to 9.36 kOe), respectively. Microstructural analysis revealed that the dense metal phosphate conversion layer formed during phosphating was the key to maintaining high-temperature magnetic performance. Specifically, inorganic phosphoric acid treatment preferentially corroded Nd-rich intergranular phases, resulting in a higher Nd content in the conversion layer. In contrast, the iron phosphate salt formed by MDPA treatment dominates the transformation layer, effectively reduces the damage to the microstructure of the magnetic powder. Our research provides a surface treatment solution that combines safety and efficiency for the performance protection of rare-earth magnetic powders in high-temperature injection molding processes.

CAS / MDL: 7664-38-2
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NANOTECHNOLOGY · 2024 ·Vol. 35 ·期 42 ·425702 · IF 2.9

Vanadium as a Ti-like mediator boosting electronic transmission in Fe-based MOFs for photocatalytic sterilization

Rui Li,Huilin Hu,Furong Xiong,Xiang Xue,Minqi Wu,Xuan Zuo,Wang Zhang,Xiangliang Pan

Efficient metal–organic frameworks (MOFs) photocatalytic bactericidal catalysts are urgently needed in water purification. Herein, a Fe-MOF (MIL-88B-NH2(V1Fe5) with promoted electron transport was achieved by vanadium (V) ions doping and V/Fe ratio optimization, showing excellent photocatalytic bactericidal activity against E. coli under visible light irradiation (99.92%). The efficient antibacterial mechanism, V as a Ti-like mediator boosting electronic transmission in MIL-88B-NH2(V1Fe5), was revealed by its band structure, transient photocurrent, electrochemical impedance spectroscopy, and scavenger quenching experiments. The enhancement of photocatalytic bactericidal performance of Fe-MOFs by V–ion-doping was confirmed by two other Fe-MOFs, MIL-53-NH2(V1Fe5) and MIL-101-NH2(V1Fe5), with the same metal ions and ligands, both of which have higher performance than the corresponding undoped MOFs. Among them, MIL-88B-NH2(V1Fe5) exhibits the highest photocatalytic bactericidal activity due to its suitable metal clusters ([M(μ3-O)] cluster) and topological structure (three-dimensional rhomboid network structure). This work demonstrated the amplification effect of V ion doping on electron transport in Fe-MOFs photocatalysts.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2024 · IF 9.4

Tuning the Fe-Gd nanoparticles co-functionalized mesoporous carbon from sphere to nanobowl for advanced bioapplications

Yimin Gong,Hui Zhang,Mingzhu Lu,Jiayu Sun,Yu Jia,Yannan Yang,Xiaofeng Liu,Bo Yin,Yaming Zhou,Yun Ling

Studies on the function-integrated nanocomposites with well-tuned morphologies have received considerable interest. Here, we reported the preparation of mesoporous carbon nanobowl integrated with stoichiometric γ-Fe 2 O 3 and GdPO 4 nanoparticles (Fe-Gd/MCN-B) for morphological advantage exploration. Followed by (i) emulsion-induced interface anisotropic assembly of polydopamine, (ii) solvent evaporation-induced sorption of Wells-Dawson-like heterometallic cluster of {Fe 6 Gd 6 P 6 } and (iii) temperature-programmed carbonization, Fe-Gd/MCN-B with the size around 200 nm was isolated. Our in-vitro studies revealed that Fe-Gd/MCN-B showed a 63.0 % amplified photoacoustic (PA) signal intensity as compared with its nanospherical analogue of Fe-Gd/MCN-S owing to the enhanced light harvesting and photothermal conversion on the interface of its nanobowl morphology. Furthermore, the combined magnetic resonance (MR) imagining, drug delivery and photothermal treatment efficacy in Fe-Gd/MCN-B were also validated in-vitro. These results demonstrated that the delicate design of the morphology of function-integrated nanocomposites is an available way for enhanced imaging performance.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Metal organic frameworks derived Fe-CoF2/MXene composites as efficient Electrocatalysts for the overall water splitting

Huimin Jiang,Hong Wang,Kaiyu Liu,Zhe Feng,Sarah Alharthi,Mohammed A. Amin,Jianjian Lin

Transition metal fluorides because of the high electronegativity of fluorine may enhance the local electron density of the metal sites and promote water molecule dissociation and charge transfer. However, enhancing the intrinsic activity of fluorides to improve material stability remains a challenge. Herein, we develop an innovative four-step synthetic strategy (electrochemical deposition → co-precipitation → ligand exchange → in situ fluorination) to engineer three-dimensional porous Fe-doped CoF 2 nanocubes vertically anchored on MXene (Fe-CoF 2 /MXene/NF). This breakthrough achievement lies in the construction of a rapid mass transfer structure: porous cubes increase the contact area of reactants and create convection channels to achieve rapid bubble separation. The synergistic effect of Fe-doped CoF 2 and MXene not only optimizes the adsorption of intermediates but also promotes rapid electron transfer at the interface, and robust structural robustness. Remarkably, the optimized catalyst achieves low overpotentials of 121 mV (hydrogen evolution reaction, HER) and 210 mV (oxygen evolution reaction, OER) at 10 mA cm −2 , surpassing most reported transition metal fluorides. Notably, it enables efficient overall water splitting at an ultralow cell voltage of 1.52 V (10 mA cm −2 ) while maintaining 98 % activity after 100-h continuous operation. This work establishes a synergistic strategy to enhance catalytic activity by simultaneously modulating electronic configurations and accelerating charge transfer kinetics, achieved through rational structural design integrating organic framework derivatization, the coupling of metal doping with interfacial engineering.

CAS / MDL: 10026-22-9
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CERAMICS INTERNATIONAL · 2025 · IF 5.6

Photostriction of ilmenite-type ceramics ATiO3 (A = Mg, Fe, Co, Ni and Mn) under visible light

Xiu Li,Zhanheng Yan,Yanglin Shen,Wanjin Liu,Jun Ding

Oxides with the ABO 3 chemical formula play a crucial role in studying photostriction in inorganic materials. In this study, the photostrictive behavior of ilmenite-type ceramics ATiO 3 (where A = Mg, Fe, Co, Ni, and Mn) was investigated under visible light irradiation. Among the ceramics investigated, CoTiO 3 showed the highest photostriction of approximately 0.1 % under 405, 520, and 650 nm light irradiation. The photostrictive response decreased successively in FeTiO 3 , MnTiO 3 , NiTiO 3 , and MgTiO 3 . Temperature and thermal expansion tests revealed that the deformation of the ceramics caused by the photothermal effect accounted for approximately half of their photostriction. Raman and charge transfer analyses indicated that the photostriction of the ceramics depended significantly on their crystal structure. Thus, the ceramics exhibited distinct photostrictive performances. This study highlights the connection between the crystal structure and photostrictive performance of ilmenite-type ceramics, providing valuable insights into the underlying mechanism of photostriction in inorganic materials.

CAS / MDL: 7439-89-6
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2025 · IF 3.9

Z-Scheme CdS/Fe-MOF Heterojunctions Enabling Efficient Photo-Fenton Reactions through In Situ H2O2 Production

Lu Zhang,Jianhao Qiu,Zongpeng Zou,Shengwei Tang,Wenxiang Tang

This work demonstrates the rational design of a Z-scheme CdS/Fe-MOF heterojunction for photo-Fenton processes utilizing in situ generated H2O2 under visible light. The photocatalysts were synthesized by depositing CdS nanoparticles onto MIL-53(Fe), optimizing interfacial charge transfer and light absorption, and ensuring effective spatial segregation of photogenerated carriers, thereby maintaining robust redox potentials. The modified CdS/Fe-MOF exhibited exceptional catalytic performance, achieving 92% degradation of 40 mg·L–1 tetracycline within 15 min, surpassing pure CdS (43%) and MIL-53(Fe) (30%) by factors of 2.3 and 3.3, respectively. Mechanistic studies identified on-site H2O2 generation through two-step oxygen reduction (236 μmol·L–1) and its subsequent activation by Fe3+/Fe2+ cycling to produce ·OH as key pathways, with h+, ·O2–, 1O2, and ·OH collectively driving pollutant degradation. The prepared photocatalysts demonstrated remarkable stability (>90% efficiency after five cycles) and structural integrity, attributed to the robust heterojunction interface. This study provides deep insight into designing Z-scheme photo-Fenton catalysts and advancing sustainable wastewater treatment.

CAS / MDL: 877-24-7 5743-04-4
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Carbon Energy · 2025 · IF 24.2

Tailoring an Fe–Ov–Ce–Triggered Phase-Reversible Oxygen Carrier for Intensified Chemical Looping CO2 Splitting

Zhao Sun,Kun Lei,Louise R. Smith,Nicholas F. Dummer,Richard J. Lewis,Haifeng Qi,Kieran J. Aggett,Stuart H. Taylor,Zhiqiang Sun,Graham J. Hutchings

Advanced oxygen carrier plays a pivotal role in various chemical looping processes, such as CO 2 splitting. However, oxygen carriers have been restricted by deactivation and inferior oxygen transferability at low temperatures. Herein, we design an Fe–O v –Ce–triggered phase-reversible CeO 2− x ·Fe·CaO ↔ CeO 2 ·Ca 2 Fe 2 O 5 oxygen carrier with strong electron-donating ability, which activates CO 2 at low temperatures and promotes oxygen transformation. Results reveal that the maximum CO 2 conversion and CO yield obtained with 50 mol% CeO 2− x ·Fe·CaO are, respectively, 426% and 53.6 times higher than those of Fe·CaO at 700°C. This unique multiphase material also retains exceptional redox durability, with no obvious deactivation after 100 splitting cycles. The addition of Ce promotes the formation of the Fe–O v –Ce structure, which acts as an activator, triggers CO 2 splitting, and lowers the energy barrier of C═O dissociation. The metallic Fe plays a role in consuming O 2− lattice transformed from Fe–O v –Ce, whereas CaO acts as a structure promoter that enables phase-reversible Fe 0 ↔ Fe 3+ looping.

CAS / MDL: 10031-43-3
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Fe doping modulates defect structures in δ-MnO2 for catalytic oxidation of formaldehyde at room temperature

Mingrui Geng,Zhizhen Wang,Denghui Wang

Formaldehyde (HCHO), a ubiquitous indoor organic pollutant, severely threatens human health. Developing efficient and low-energy catalytic materials for room-temperature HCHO purification remains an urgent priority. In this work, Fe y MnO x catalysts were synthesized via a facile coprecipitation method. The Fe doping effectively modulated the morphology and crystallinity of δ-MnO 2 while inducing the formation of surface oxygen vacancies, thereby enhancing the capability to generate surface reactive oxygen species. Under a gas hourly space velocity (GHSV) of 150 L·g cat –1 ·h –1 , the catalyst achieved > 99 % removal efficiency for 100 ppm HCHO, along with exceptional stability. In situ DRIFTS reveals the influence of Fe doping on the catalytic reaction pathway for HCHO. This work demonstrates that the Fe doping strategy successfully optimizes the microstructure and surface chemical properties of δ-MnO 2 , resulting in outstanding room-temperature HCHO removal performance, providing valuable insights into defect engineering for optimizing transition metal oxide catalysts.

CAS / MDL: 50-00-0
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Atomic-level regulation of the coordination structure in single-atom Fe nanozymes for tumor catalytic therapy

Xinyu Gao,Yang Guo,Sihan Wang,Jingting Li,Hao Xin,Zihan Zhou,Fan Yang,Mingyu Nie,Fei Song,Yutao Wang,Changsong Dai,Zhaohui Wen

Single-atom nanozymes (SAzymes) exhibit efficient and stable catalytic performance due to their tunable electronic configurations and optimized atomic utilization. However, designing SAzymes with well-defined coordination environments and clarifying their structure–activity relationships for tumor therapy pose significant challenges. This study introduces FeN 4 –Pyrrolic single-atom nanozymes (FeN 4 –Pyrrolic SAzymes), developed by precisely modulating the first-shell coordination environment. Through X-ray absorption fine structure analyses and density functional theory calculations, the well-defined active centers of FeN 4 –Pyrrolic SAzymes are shown to possess higher energy levels in the d xz , d yz , and d z 2 orbitals than those of FeN 4 –Pyridinic SAzymes, resulting in stronger interactions with reaction intermediates and enhanced intrinsic activity along the peroxidase (POD)-like reaction pathway. Both in vitro and in vivo experiments demonstrate that, after endocytosis by tumor cells, FeN 4 –Pyrrolic SAzymes promote reactive oxygen species (ROS) accumulation through their exceptional POD-like activity, leading to oxidative damage and subsequent apoptosis. Additionally, their glutathione oxidase-like activity indirectly elevates lipid peroxidation levels, thereby facilitating ferroptosis. By modulating multiple cell death pathways, FeN 4 –Pyrrolic SAzymes synergistically suppress tumor growth. This study provides novel insights into the fine regulation of coordination environments to improve the anti-tumor performance of nanozymes.

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