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ENERGY & FUELS · 2024 · IF 5.2

Sintering Mechanism of Fe2O3 Particles during Iron-Based Chemical Looping Combustion by Using ReaxFF MD Simulation and Experiments

Yuchuan Feng,Penghui Wang,Nana Wang,Xin Guo,Suxia Ma

Reactive force field molecular dynamics (ReaxFF MD) simulation and experiments were employed to deeply reveal the sintering mechanism of Fe2O3 particles during iron-based chemical looping combustion. The sintering process of Fe2O3 particles was simulated at different temperatures (973–1273 K). The results showed that the temperature increase has limited effect on the structure of Fe2O3 particles and slightly increases the atomic irregularity. The sintering process of Fe2O3 particles can be divided into three stages: the proximity phase, rapid formation, and slow growth of the sintering neck. The temperature increase significantly promotes the sintering process of Fe2O3 particles. The mean-square displacement and Arrhenius equations were used to study the atomic diffusion properties of Fe2O3 particles. The diffusion activation energy of surface atoms is lower than that of inner atoms, implying that the surface atoms have stronger diffusion ability. With the increase of temperature, more Fe atoms diffuse toward the interface of Fe2O3 particles. Increasing the temperature can accelerate the diffusion and enrichment of surface atoms, especially Fe, toward the sintering neck region, resulting in more serious sintering of Fe2O3 particles. ReaxFF MD simulation is in good agreement with the experimental results. Inhibiting the atomic diffusion is the key to improving the antisintering ability of Fe2O3 oxygen carriers.

CAS / MDL: 1317-60-8
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ACS Catalysis · 2025 · IF 13.1

Photocatalytic Oxidation of 5-Hydroxymethylfurfural to Selective Products by Noble Metal-Free Z-Scheme Heterostructures α-Fe2O3/Zn0.5Cd0.5S

Yuyang Wang,Chun Cai

It is a promising endeavor to explore the photocatalytic oxidation for 5-hydroxymethylfurfural (HMF) to produce high-value-added derivatives. The absence of efficient photocatalytic systems has hindered the transformation of HMF to 2,5-diformylfuran (DFF), while DFF is susceptible to subsequent oxidation into 2,5-furandicarboxylic acid (FDCA). Herein, we design a Z-scheme heterojunction photocatalyst α-Fe2O3/Zn0.5Cd0.5S via hydrothermal methods, which exhibits superior activity toward the selective oxidation of HMF to DFF or FDCA in aqueous solution. Photocatalytic investigations demonstrated the highest activity for 15% Fe2O3/Zn0.5Cd0.5S, resulting in a DFF selectivity of 99% and conversion of 75%, affording FDCA selectivity of 85% and conversion of 99%. The high catalytic activity has been ascribed to the effective separation of photogenerated charge carriers and generation of reactive oxygen species (ROS) in different atmospheres with the Z-scheme mechanism. Research revealed that the oxidation to DFF is associated with •OH in an Ar environment, while the generation of FDCA is related to •O2– in the air. Moreover, selective oxidation may also exhibit significant potential for the utilization of sunlight and other benzene substrates. Overall, this study offers a unique demonstration of designing a noble metal-free Z-scheme heterojunction photocatalyst for the oxidation of HMF to selective products in water.

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NANOTECHNOLOGY · 2024 ·Vol. 35 ·期 19 ·195710 · IF 2.9

Porous rod-shaped Fe2O3/Ag/BP: a novel substrate for highly sensitive SERS detection of persistent organic pollutants

Hang Chen,Caiqin Han,Le Zhang,Ying Wu

A surface enhanced Raman scattering (SERS) substrate of porous rod-shaped ferric oxide (Fe2O3) combined with silver nanoparticles (Ag NPs) and black phosphorus (Fe2O3/Ag/BP) was fabricated to detect the persistent organic pollutants (POPs) at low concentration. The organic pollutant Rhodamine 6G (R6G) was used as the probe molecule to study the performances of Fe2O3/Ag/BP, and 4-chlorobiphenyl (PCB-3) was the target of detection. The limit of detection (LOD) of R6G based on this novel SERS substrate Fe2O3/Ag/BP was as low as 1.0 × 10−15 M, which was five orders of magnitude lower than that of Fe2O3/Ag (10−10 M). The enhancement factor (EF) of Fe2O3/Ag/BP was 6.44 × 108, which was 3.1 times higher than that of porous rod-shaped Fe2O3/Ag (2.08 × 108). The Raman signal of R6G based on Fe2O3/Ag/BP had a good homogeneity, and the relative standard deviation (RSD) of Raman signal intensities of R6G at 1643 cm−1 was only 5.97%. Furthermore, the Fe2O3/Ag/BP substrate exhibited a recyclability through the photocatalytic degradation of R6G. The LOD of PCB-3 based on Fe2O3/Ag/BP was 10−9 M. Besides, Fe2O3/Ag/BP had a high SERS activity even it was kept in a centrifuge tube without requiring complicated treatment. These results highlight the potential application of Fe2O3/Ag/BP for ultra-trace detection of POPs in the environment.

CAS / MDL: 110-54-3
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LANGMUIR · 2025 · IF 3.9

Achieving CNTs Growth by Inducing Nanoparticle Nucleation via Non-Active Fe2O3 Clusters Anchored on the α-Al2O3 Surface

Peng Wang,Qianpeng Dong,Chenyu Gao,Lianlian Wang,Ruiliang Wang,Dianming Chu,Wenjuan Bai,Yan He

This research presents a regulation strategy of constructing a heterogeneous bilayer catalyst of Fe and Al2O3, namely, Fe–Al2O3, through interfacial interaction and particle nucleation, in order to modulate the size and catalytic activity of Fe sites and achieve the growth of carbon nanotubes (CNTs). Through temperature control, the noncatalytically active Fe2O3 clusters on the surface of Al2O3 are exposed, inducing multiple nucleation of Fe clusters on its surface. Under the synergistic effect of the confinement at the Fe–Al2O3 interface, the fabrication of small Fe nanoparticles is accomplished. The results indicate that the catalytically active Fe nanoparticles have a diameter of approximately 10 nm, and the grown CNTs have a diameter of approximately 15 nm. Based on the systematic characterization results, the nonactive Fe2O3 clusters confined by strong interfacial interaction induce multiple nucleation of Fe on their surface during multiple loading processes, facilitating the formation of nanoparticles. Additionally, the strong interaction between Al2O3 and Fe induces the formation of FeAl4O8, thereby enhancing the thermal stability of the nanoparticles. In conclusion, the targeted regulation of the interfacial interaction of the catalyst active sites offers guidance for the low-cost and large-scale preparation of small nanoparticle catalyst particles.

CAS / MDL: 7782-61-8
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RSC Advances · 2020 ·Vol. 10 ·期 29 ·17154-17162 · IF 3.119

MOF-derived (MoS2, γ-Fe2O3)/graphene Z-scheme photocatalysts with excellent activity for oxygen evolution under visible light irradiation

Ang Li,Yuxiang Liu,Xuejun Xu,Yuanyuan Zhang,Zhichun Si,Xiaodong Wu,Rui Ran,Duan Weng

Constructing Z-scheme heterojunctions is considered as an effective strategy to obtain catalysts of high efficiency in electron–hole separation in photocatalysis. Unfortunately, suitable heterojunctions are difficult to fabricate because the direct interaction between two semiconductors may lead to unpredictable negative effects such as electron scattering or electron trapping due to the existence of defects which causes the formation of new substances. Furthermore, the van der Waals contact between two semiconductors also results in bad electron diffusion. In this work, a MOF-derived carbon material as a Z-scheme photocatalyst was synthesized via one-step thermal treatment of MoS2 dots @Fe-MOF (MIL-101). Under visible light irradiation, the well-constructed Z-scheme (MoS2, γ-Fe2O3)/graphene photocatalyst shows 2-fold photocatalytic oxygen evolution activity (4400 μmol g−1 h−1) compared to that of γ-Fe2O3/graphene (2053 μmol g−1 h−1). Based on ultraviolet photoelectron spectrometry (UPS), Mott–Schottky plot, photocurrent and photoluminescence spectroscopy (PL) results, the photo-induced electrons from the conduction band of γ-Fe2O3 could transport quickly to the valence band of MoS2 via highly conductive graphene as an electron transport channel, which could significantly enhance the electron–hole separation efficiency as well as photocatalytic performance.

研究领域: 材料科学 · 光催化
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2022 ·Vol. 47 ·期 47 ·20561-20571 · IF 7.139

High-performance H2 gas sensor based on Mn-doped α-Fe2O3 polyhedrons from N, N-dimethylformamide assisted hydrothermal synthesis

Tianyu Ai,Jing Li,Shuai Nie,Yansheng Yin,Jinlin Lu,Shuo Bao,Ling Yan

Transition elements doping metal oxide is of great significance for developing gas sensors with high performance. To achieve this goal, α-Fe 2 O 3 rod and Mn-doped α-Fe 2 O 3 polyhedrons are successfully synthesized by a facile N, N-dimethylformamide assisted hydrothermal method and characterized by several physical techniques. The morphology of α-Fe 2 O 3 is evolved by introducing Mn elements. The performance of the α-Fe 2 O 3 rod and Mn-doped α-Fe 2 O 3 polyhedrons as H 2 gas sensors are studied and compared. The Mn/α-Fe 2 O 3 -5 polyhedrons sensor exhibit the best performance at optimum operating temperature of 300 °C. The response and recovery times are 10 s/24 s for H 2 with a concentration of 200 ppm, which is much faster in contrast to those recently reported H 2 gas sensors. Furthermore, α-Fe 2 O 3 rod and Mn-doped α-Fe 2 O 3 polyhedrons show abnormal n-p transition sensing behavior with the change of operating temperature. This work provides a facile method for synthesizing α-Fe 2 O 3 based sensing materials for various sensors applications.

✓ 已验证 DOI 高影响因子
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ENERGY CONVERSION AND MANAGEMENT · 2019 · IF 7.181

Insights into the relationship between microstructural evolution and deactivation of Al2O3 supported Fe2O3 oxygen carrier in chemical looping combustion

Zhong Ma,Shuai Zhang,Rui Xiao

The Fe 2 O 3 -Al 2 O 3 oxygen carrier is regarded to a promising candidate for chemical looping combustion (CLC). However, Fe 2 O 3 -Al 2 O 3 oxygen carrier was often subjected to a decrease of oxygen carrying capacity. The deactivation mechanism of Fe 2 O 3 -Al 2 O 3 oxygen carrier in chemical looping combustion was investigated over consecutive 20 cycles. The Fe 2 O 3 -Al 2 O 3 oxygen carrier exhibited relatively poor redox stability in a fixed bed reactor. The physico-chemical properties of cycled Fe 2 O 3 -Al 2 O 3 oxygen carrier were characterized by different characterization methods. No carbon deposit was detected in the reduction process, indicating that carbon deposition was not the cause for Fe 2 O 3 -Al 2 O 3 oxygen carrier deactivation under this experimental condition. The characterization results showed that the deactivation of Fe 2 O 3 -Al 2 O 3 oxygen carrier in redox cycles was mainly attributed to thermal sintering. The cycled Fe 2 O 3 -Al 2 O 3 oxygen carrier showed lower surface area, lower reducibility and oxygen mobility than that of fresh sample. After a certain number of redox cycles, Fe diffusion and enrichment at the surface of cycled oxygen carrier was observed. The surface Fe is unstable under high reaction temperature, leading to accelerate thermal sintering. A deactivation mechanism of Fe 2 O 3 -Al 2 O 3 oxygen carrier in CLC was proposed based on the Fe diffusion and surface sintering.

研究领域: 化学工程 · 能源技术 · 材料科学 · 催化
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JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL · 2016 · IF 3.958

Fe2O3/SiO2 nanowires formed by hydrothermally transforming SiO2 spheres in the presence of Fe3+: Synthesis, characterization, and catalytic properties

Tao Meng,Pengfei Xie,Hengfei Qin,Huan Liu,Weiming Hua,Xi Li,Zhen Ma

Xie et al. reported that Fe 2 O 3 /SiO 2 spheres with a surface area of 111   m 2 /g could be hydrothermally transformed into Fe 2 O 3 /Silicalite-1 nanowires in the presence of ethylenediamine and triethylamine. The resulting material was found to be active for CO oxidation and N 2 O decomposition due to the presence of small (1–2   nm) Fe 2 O 3 nanoparticles [P.F. Xie et al., Microporous Mesoporous Mater. 200 (2014) 52–60; P.F. Xie et al., J. Mol. Catal. A 409 (2015) 50–58]. In the current work, commercial amorphous SiO 2 spheres with a low specific surface area of 9.5   m 2 /g were found to be transformed into amorphous SiO 2 nanowires via hydrothermal treatment at 200   °C, in the presence of a mixture of ethylenediamine, triethylamine, and Fe(NO 3 ) 3 , for several days. The Fe 3+ species, in the presence of ethylenediamine and triethylamine, not only catalyzed the morphological transformation of SiO 2 , but also got deposited onto the SiO 2 nanowires, forming supported Fe 2 O 3 nanoparticles (2–4   nm in diameter) upon subsequent calcination to remove the organic templates. For comparison, Fe 2 O 3 /SiO 2 spheres prepared by impregnation had big Fe 2 O 3 particles (as large as 50   nm). Both the SiO 2 supports and supported Fe 2 O 3 particles were characterized by various techniques. The catalytic performance was studied, using N 2 O decomposition, CO oxidation, and photocatalytic reduction of Cr(VI) as probe reactions. Implications of the findings are discussed.

研究领域: 材料化学 · 纳米材料 · 催化 · 环境修复 · 无机合成
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APPLIED SURFACE SCIENCE · 2019 · IF 5.155

Facile synthesis of freestanding cellulose/RGO/silver/Fe2O3 hybrid film for ultrahigh-areal-energy-density flexible solid-state supercapacitor

Zhanghua Zou,Wei Xiao,Yanhua Zhang,Hong Yu,Wenjie Zhou

We report the design of a freestanding cellulose/RGO/silver/Fe 2 O 3 hybrid film for direct use as electrodes for construction of high-performance flexible solid-state supercapacitor (FSS). It is well characterized and found to feature noticeable capacitive properties due to the unique structure, high conductivity and dual electroactive species (i.e., RGO and Fe 2 O 3 ) for charge storage. As demonstrated in a three-electrode system, such film electrode achieves the maximum areal and volumetric capacitance of 2044 mF cm −2 and 75.7 F cm −3 , respectively, with prominent rate performance and long-term cyclic durability. Later, a symmetric FSS device is constructed by employing this film as both anode and cathode electrodes. The as-assembled device offers the highest areal and volumetric capacitance of 1132 mF cm −2 and 18.2 F cm −3 , respectively, displays inconspicuous performance degradation under different curved states, and possesses the largest areal energy density of 226.4 μWh cm −2 , which is far better than that of many advanced symmetric and asymmetric flexible supercapacitors. The attractive capacitive behaviors and easy fabrication processes could render cellulose/RGO/silver/Fe 2 O 3 hybrid film a promising material for the applications in next-generation flexible and wearable electronics in the future.

研究领域: 材料科学 · 储能 · 纳米技术 · 电化学
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Environmental Science-Nano · 2017 ·Vol. 4 ·期 8 ·1682-1691 · IF 6.047

Distinguishing the roles of different extracellular polymeric substance fractions of a periphytic biofilm in defending against Fe2O3 nanoparticle toxicity

Jun Tang,Ningyuan Zhu,Yan Zhu,Philip Kerr,Yonghong Wu

The roles of different extracellular polymeric substance (EPS) fractions in microbial communities, such as periphytic biofilms, are unclear. In this study, three EPS fractions extracted from a periphytic biofilm were employed to investigate their ability to affect Fe2O3 nanoparticle (IONP) toxicity. The addition of IONPs promoted the production of EPS and reactive oxygen species. The bound EPS protected the microbial cells in the periphytic biofilm from oxidative damage caused by IONPs. Different EPS fractions had different roles in affecting IONPs via different mechanisms, specifically, the soluble EPS increased the hydrodynamic diameter of IONPs and promoted IONP aggregation, the flocculation efficiency of the tightly bound EPS increased during exposure to IONPs, and the loosely bound EPS presented high biosorption of IONPs. The binding of IONPs with abundant functional groups was the main combination mode between different EPS fractions and IONPs. The beneficial changes in composition, structure and functional groups of EPS during exposure to IONPs in turn facilitate the elimination of their toxicity. This study contributes to a better understanding of the resistance mechanism of the periphytic biofilm to IONP exposure and the roles of EPS fractions in defending against nanotoxicity.

研究领域: 微生物学 · 环境毒理学 · 生物膜研究 · 纳米材料生物学效应 · 生态毒理学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2026 · IF 5.4

Efficient degradation of tetracycline hydrochloride by Fe2O3 loaded on the surface of halloysite nanotube via photocatalysis and activating peroxydisulfate

Xue Chen,Yucao Yuan,Mingliang Li,Bo Song,Hailiang Wang,Gang Shao,Hongxia Lu,Hailong Wang,Bing Zhang,Hongliang Xu

Fe 2 O 3 /HNTs composites were prepared by a facile and economical sol-gel method. • Photocatalytic activity of Fe 2 O 3 was greatly enhanced by loading on HNTs surface. • Synergy effect of photocatalysis and PDS activation enhanced TC degradation. • 50 mg FH-40 removed 94.80% of TC molecules within 120 min in Vis/PDS system. • The potential synergistic enhancement mechanism was well proposed. Through loading Fe 2 O 3 on the surface of halloysite nanotube (HNTs), Fe 2 O 3 /HNTs composites (FH-X, X = 10, 30, 40, 50, 70, representing the mass of Fe 2 O 3 in the composite as 10 wt%, 30 wt%, 40 wt%, 50 wt% and 70 wt%), were successfully fabricated via sol-gel method. The effects of Fe 2 O 3 content on the morphology, microstructure, photoelectric and photocatalytic performance of the FH-X composites were systematically investigated. The results indicated that the agglomeration of Fe 2 O 3 nanoparticles was effectively alleviated, which were uniformly distributed on the surface of HNTs and decreased to around 5–15 nm in size. Consequently, FH-X composites exhibited superior adsorption and photocatalytic performance toward tetracycline hydrochloride (TC). With the increase of Fe 2 O 3 content, the degradation of TC by the FH-X composites firstly increased and then decreased. Among them, FH-40 exhibited the optimal photocatalytic performance, which was likely due to the interfacial effect between Fe 2 O 3 and HNTs. The sodium peroxydisulfate (PDS) was used as the auxiliary agent, 0.05 g of FH-40 removed 94.80% of TC (100 mL, 40 mg/L) under visible light irradiation for 120 min in the Vis/PDS system. The reaction rate constant was 4.18 times that of Vis/FH-4. The effects of the PDS and photocatalyst dosage, pH value and initial concentration of TC on the removal rate of TC were also investigated. Additionally, FH-40 exhibited favorable stability, and excellent universality for degrading other organic pollutants. ·SO 4 ⁻ , h ⁺ and ·O 2 ⁻ were the dominant active species during the photocatalysis. The possible degradation pathway and mechanism of TC were proposed. Download: Download high-res image (187KB) Download: Download full-size image Mechanism of TC degradation by FH-40 in Vis/PDS system

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Materials Today Bio · 2026 · IF 11

A sequentially programmed Fe2O3 hollow multishelled nanoplatform for ferroptosis-amplified lung cancer therapy and macrophage-related innate immune remodeling

Xinnan Xu,Keyi Chen,Tao Ge,Ming Deng,Li Xu,Kaiqi Jin,Xuyu Gu

Lung cancer chemotherapy is often limited by insufficient tumor-selective drug delivery, premature leakage, and the difficulty of coordinating multiple therapeutic mechanisms in an optimal temporal sequence. Here, we developed a sequentially programmed Fe 2 O 3 hollow multishelled nanoplatform, Fe 2 O 3 -HoMS-(SS-ART)-Oxa@CaP, to achieve shell-selective loading and microenvironment-responsive release for chemo-ferroptotic therapy. In this design, oxaliplatin (Oxa) was preferentially positioned in the outer shell/pore region for relatively early release, whereas a reduction-responsive disulfide-linked artesunate prodrug (SS-ART) was confined within the inner structure for delayed glutathione-triggered activation, and an ultrathin CaP layer served as an acid-responsive gatekeeper. This structural organization enabled a programmed release tendency that supports early chemotherapeutic priming followed by redox amplification. Mechanistically, Fe 2 O 3 -HoMS-(SS-ART)-Oxa@CaP increased intracellular Fe 2+ availability and ROS accumulation, depleted GSH, and suppressed GPX4, with results consistent with enhanced ferroptosis-related tumor cell damage. The nanoformulation also induced CRT exposure and HMGB1 redistribution, suggesting immunogenic cell death-associated molecular changes. Functionally, it significantly inhibited A549 cell proliferation, migration, and invasion compared with free drugs and their free combination. In vivo, the nanoplatform achieved improved tumor suppression, increased TUNEL positivity, reduced GPX4 expression, prolonged survival, and was associated with a shift in tumor-associated macrophages toward a more CD86-positive/M1-like and less CD206-positive/M2-like phenotype, with no obvious systemic toxicity under the tested conditions. Together, these findings support this Fe 2 O 3 -based hollow multishelled nanoplatform as a proof-of-concept strategy for programmed chemo-ferroptotic therapy in lung cancer, while also suggesting macrophage-related innate immune changes in vivo.

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