SEPARATION AND PURIFICATION TECHNOLOGY
·
2026
·
IF 9.1
Yue Zhao,Yingshi Zhu,Kangting Li,Yanfei Wei,Yuru Li,Tao Yu,Jianqiu Zhu,Xingwang Zhang
During the electro-Fenton (EF) process, the in-situ activation of H 2 O 2 at the cathode is an important strategy to minimize the ineffective consumption of H 2 O 2 and enhance the reaction efficiency. Accordingly, a structurally ordered FeNi-layered double hydroxide (FeNi-LDH) nanosheet array was in-situ grown on carbon felt (CF) by a simple hydrothermal method. A Fe 2+ -based aliovalent substitution strategy was employed to modulate the morphology and active sites of FeNi-LDH. On one hand, Fe 2+ facilitated the formation of abundant open reactive microspaces by regulating the nucleation rate, which was conducive to the exposure of active sites and the mass transfer process. On the other hand, the aliovalent substitution of Fe 2+ introduced more low-valent metal sites and surface defects (–OH), thereby activating the in-plane metal sites of FeNi-LDH. As a result, the bifunctional Fe(II)-FeNi-LDH/CF-0.5 cathode exhibited an excellent performance. At a low current density of 5 mA cm −2 and with NFX concentrations up to 40 mg L −1 , the EF system removed 92.59% of NFX within 15 min, with a pseudo-first-order kinetic constant of 11.67 × 10 −2 min −1 . As the dominant reactive species, hydroxyl radicals (•OH) originated from the combined contributions of both homogeneous and heterogeneous catalytic pathways. The density functional theory (DFT) calculations further revealed that the abundant surface hydroxyl groups were conducive to the adsorption and activation of H 2 O 2 . This work provides a novel material option for EF systems.
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DESALINATION
·
2026
·
IF 9.9
Yuxuan Zhu,Haikuo Lei,Zengli Dai,Dong Liang,Quan Kang,Hongqing Lv,Huichao Su
A cathodic EMR equipped with highly dispersed Co/Fe-doped CoFeCM achieves 99.4% removal of high-concentration SMX. • FeCoN 6 -like local sites synergistically generate ·OH and O 2 · − for efficient removal. • Chitosan enhances metal anchoring and membrane flexibility, enabling low-cost fabrication. • Continuous-flow EMR realizes electrocatalytic oxidation and membrane separation in one single unit. To address the low efficiency and poor environmental safety of traditional technologies for degrading sulfamethoxazole (SMX), a cathodic electrocatalytic membrane reactor (EMR) was constructed by integrating CoFeCM as the cathode. CoFeCM was fabricated via a scalable mechanical ball milling-hot pressing‑carbonization route using chitosan-modified activated carbon as the substrate, where chitosan enhanced the anchoring of highly dispersed Co/Fe sites to suppress agglomeration and improved membrane mechanical flexibility. The equimolar Co₅Fe₅CM exhibited optimized porous structure (BET: 541.3 m 2 /g), excellent electrical conductivity (8542 S/m), and superior oxygen reduction reaction (ORR) activity. Under mild conditions (1.2 V, pH 3), the EMR achieved 99.4% removal of 100 mg/L SMX and 45.3% COD removal, with 12.4% TOC removal indicating effective transformation and partial mineralization. Mechanistic investigations confirmed that Fe Co sites formed a FeCoN 6 -like local structure with site-specific synergy. Fe sites thermodynamically favored 2e − ORR for efficient H 2 O 2 production, while Co sites kinetically promoted 1e − activation of H 2 O 2 to ·OH. ·OH and O 2 · − served as dominant active species, enabling multi-pathway SMX removal through sulfonamide bond cleavage and oxazole ring opening, with significantly reduced biotoxicity of intermediates. The EMR maintained stable removal efficiency (93.1% after 10-day continuous operation), and the concentrations of Co and Fe in the effluent were lower than the instrumental detection limit, and exhibited good universality for various refractory pollutants, providing a green, cost-effective, and scalable solution for antibiotic-contaminated wastewater treatment, and further demonstrates great potential for simultaneous organic pollutant elimination and salt rejection in high-salinity desalination wastewater systems, broadening the application boundary of electrocatalytic carbon membranes for seawater desalination and brine resource utilization. Download: Download high-res image (128KB) Download: Download full-size image
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CARBON
·
2026
·
IF 12.7
Jia-yuan Tian,Feng Lin,Jing-jing Wu,Pei Ma,Xiao-lin Xue,Yu-long Ma,Yong-gang Sun
Lignin is the most abundant renewable organic aromatic compound carbon source in nature, and it is of great significance to convert it into high-value fine chemicals. However, achieving this goal requires regulating the selectivity of the lignin hydrodeoxygenation (HDO) reaction is crucial to breaking the competitive relationship between C–O bond cleavage and aromatic ring saturation. This study proposes oxygen-philic-hydrogen activation dual-functional site synergy strategy, using NiCoAl-LDH as the precursor, and constructing a NiCoMoFeAlO x multi-metal oxide catalyst by introducing Mo and Fe. Experiments and DFT calculations show that the catalyst achieves precise coupling of depolymerization and deoxygenation through a tandem synergy mechanism, the NiCo sites efficiently activate H 2 to supply active hydrogen, the oxygen-philic Mo sites and Fe selectively adsorb and cleave C–O bonds, and the intermetallic synergy effectively inhibits excessive hydrogenation of aromatic rings, directing the reaction path to phenolic products with retained aromatic rings. In the real lignin HDO reaction, the catalyst achieves a liquid yield as high as 78% and 64.9% selectivity for C 6+ cyclohexanol. This research provides a new paradigm for the rational design of multi-functional catalysts and the realization of directed conversion of lignin. Download: Download high-res image (244KB) Download: Download full-size image
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APPLIED CATALYSIS B-ENVIRONMENTAL
·
2026
·
IF 19.7
Muhammad Rafiq,Sami Ur Rahman,Wenjuan Xu,Shehna Farooq,Jiangyan Dang,Muhammad Saad,Omme Habiba Abbasi,Adel Al-Salihy,Wenliang Li,Jingping Zhang
Fe@CoP-NSs/CP is synthesized and shows superior OER activity (272 mV at 10 mA cm⁻²). • DFT reveals Fe doping optimizes the d -band center (-1.92 eV) and adsorption energetics of Fe@CoP-NSs/CP. • DHS-OPM on Fe-Co sites of Fe@CoP-NSs/CP achieves a low overpotential of 0.35 V, outperforming AEM. • Fe@CoP-NSs/CP exhibits excellent stability over 30 h tested by chronoamperometry. • Machine learning identifies TM-OOH* and RDS as key predictors of catalytic efficiency (ROC-AUC up to 0.99). The oxygen evolution reaction (OER) remains a critical bottleneck for efficient oxygen production via water splitting due to its sluggish kinetics and high overpotential. Herein, we systematically investigated the OER mechanism on 3d transition metal-doped (Iron, Nickle, and Manganese) and pristine cobalt phosphide nanosheet carbon paper supported (Fe@CoP-NSs/CP, Ni@CoP-NSs/CP, Mn@CoP-NSs/CP, and CoP-NSs/CP) through a density functional theory (DFT) and experimental approach. The DFT calculations reveal that doping modulates the electronic structure of Fe@CoP-NSs/CP among the investigated systems exhibiting a d-band center closest to the Fermi level (-1.92 eV), leading to optimized adsorption energetics for key intermediates. Mechanistic mapping identifies the Dual Hetero-Site Oxide Path Mechanism (DHS-OPM) as the dominant pathway. In this mechanism, Fe-Co bimetallic sites achieve a remarkably low overpotential of 0.35 V, significantly outperforming the Adsorbate Evolution Mechanism (AEM). Experimentally, Fe@CoP-NSs/CP shows superior OER activity with an overpotential of 272 mV at 10 mA cm −2 and a Tafel slope of 47.4 mV dec −1 , with excellent stability over 30 h. Furthermore, supervised machine learning identifies TM-OOH* and rate-determining step (RDS) energies as the key predictors of catalytic efficiency, achieving ROC-AUC values up to 0.99. This work establishes a DFT-driven mechanistic framework, demonstrating that Fe@CoP-NSs/CP provides a highly efficient and durable pathway for OER. Download: Download high-res image (185KB) Download: Download full-size image
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JOURNAL OF ALLOYS AND COMPOUNDS
·
2026
·
IF 6.7
Lixin Wang,Renjie Ji,Chunge Wang,Fanbo Meng,Zhongwu Luo,Mengran Wang,Hui Jin,Shijie Yang,Shi’an Zhao,Dahao Han,Yongjie Cheng,Tianyu Liu,Jianmin Ma,Yonghong Liu
To address the limited activity and durability of oxygen evolution reaction (OER) electrocatalysts, we present an integrated in situ strategy for constructing a three-dimensional Ni-Co dendritic electrode matrix coupled with a surface amorphous Ni-Co-Fe layered double hydroxide (LDH) catalytic layer. A Ni-Co dendritic matrix (NCDEM) with enhanced electrolyte accessibility and mass transport properties is first fabricated via jet electrodeposition, followed by the in situ hydrothermal growth of Ni-Co-Fe LDH nanosheets to construct a Ni-Co-Fe dendritic electrode (NCFDE). The introduction of NaBO₂ during the hydrothermal process regulates surface etching kinetics and the Fe³ ⁺ coordination environment, promoting uniform nanosheet growth and triggering the crystalline-to-amorphous transition of the LDH structure. The amorphous LDH layer increases the accessible active surface area, facilitates the formation of reconstructed NiOOH active species during OER, and enhances structural stability during prolonged electrochemical operation. The optimized B2-NCFDE exhibits outstanding OER performance in 1 M KOH, requiring an overpotential of only 215.34 mV to achieve 100 mA cm⁻², with a Tafel slope of 38.29 mV dec⁻¹ and stable operation at 500 mA cm⁻² for 2000 h. Furthermore, the B2-NCFDE||B2-NCFDE electrolyzer achieves 100 mA cm⁻² at a cell voltage of 1.822 V and demonstrates excellent durability for overall water splitting. This work provides a scalable strategy that integrates electrode architecture engineering with amorphous LDH regulation for efficient and durable hydrogen production.
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International Journal of Environmental Research
·
2026
·Vol. 20
·期 6
·269
·
IF 4.3
Liu Yiqing,Hu Hong,Chen Chuanzeng,Zou Qinghua,Ruan Zhitian,Tang Lun
To resolve two main drawbacks of Fe(II/III)/peroxydisulfate (PDS) system, i.e., sluggish Fe(II) regeneration and strongly acidic operating environment, hydroxylamine (HAm) and nitrilotriacetic acid (NTA) were introduced simultaneously to Fe(III)/PDS system to degrade orange G (OG) under neutral condition in this study. The results shown that Fe(III)-NTA/HAm/PDS system could effectively remove OG at pH 7.0 and the removal ratio of OG reached 86.4% in 15 min. In this system, Fe(III)/Fe(II) could complex with NTA to improve their solubility, leading to the broadening of pH application range from acidic condition to weakly alkaline circumstance (pH 3–9) and the decrease of iron sludge production; HAm could drive Fe(III)/Fe(II) cycle via reducing Fe(III) to Fe(II), ensuring the sustainability of catalytic reaction and lowering the Fe(III) dosage. Sulfate radical (SO 4 ·− ) and hydroxyl radical (HO·) mainly contribute to OG degradation in Fe(III)-NTA/HAm/PDS process. The increase of reagents dosage could accelerate the removal of OG, while excess HAm (> 1 mM) and NTA (> 25 µM) could depress OG degradation because of their competition with OG for active radicals. The existence of Cl − (0.5–5 mM) could slightly promote the removal of OG, but HCO 3 − (0.5-5–mM) and fulvic acid (2–10 mg L − 1 ) obviously suppressed OG degradation. This research offers a strategy to extend the pH application range of Fe(II/III)/PDS process with low Fe dosage and a technique to remove OG from contaminated water. Graphical abstract
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ELECTROCHIMICA ACTA
·
2026
·
IF 5.8
Mengfan Xu,Huangzhong Liang,Hao Zhou,Yongchun Bao,Jingzhi He,Linxia Bu,Rui Wang,Limei Duan,Quan Zhuang,Jinghai Liu,Yin Wang
This work regulates electronic structure and oxygen vacancies of Fe 2 O 3 via Nd-O-Fe 4f-2p-3d orbital coupling, promoting OER mechanism from AEM to LOM and clarifying the intrinsic catalytic origin. • The as-prepared Nd-Fe 2 O 3 @C shows low overpotential and favorable OER activity, with stable operation over 300 h at 10 mA cm -2 , presenting remarkably improved stability. • In-situ IR, in-situ Raman combined with DFT calculations demonstrate that Nd doping upshifts the Fe d-band center and reduces the Fe spin state, significantly lowing the adsorption energy of Fe 2 O 3 toward *OH and *O species. The development of highly active and stable non-precious metal-based catalysts for the oxygen evolution reaction (OER) is crucial for achieving efficient and low-cost hydrogen production through electrolysis. Herein, the temperature-programmed calcination approach is employed to synthesize the target catalyst of Nd-doped Fe 2 O 3 on graphitic carbon (Nd-Fe 2 O 3 @C). This Nd-Fe 2 O 3 @C presents excellent OER performance with a low overpotential of 359 mV at 10 mA cm −2 , a small Tafel slope of 70.31 mV/dec, and long-term stability (over 300 h). Tetramethylammonium hydroxide (TMAOH) measurements coupled with in-situ characterizations capture the dynamic evolution of key oxygen intermediates, verifying that Nd doping creates oxygen vacancies and thereby triggers the lattice oxygen oxidation mechanism (LOM). Density functional theory (DFT) calculations revealed that Nd doping increases antibonding orbital occupancy, which leading to weaker adsorption of oxygen intermediates and facilitate *OH and *O desorption during the OER. This work establishes oxygen vacancy engineering as effective strategy for robust water oxidation through LOM pathway. The Nd-Fe 2 O 3 @C with 4f–2p–3d gradient orbital coupling catalyst exhibits a low overpotential (η 10 = 359 mV), a small Tafel slope (70.31 mV dec -1 ) and outstanding long-term catalytic stability (300 h). DFT calculations demonstrate that Nd doping upshifts the Fe d-band center and reduces the Fe spin state, significantly lowing the adsorption energy of Fe 2 O 3 toward *OH and *O species. Download: Download high-res image (293KB) Download: Download full-size image
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Catalysts
·
2026
·Vol. 16
·期 9
·759
·
IF 4.5
Shuangyan Meng,Bin Liu,Jijie Zhao,Kaizhou He,Minglin Xie,Xiangqian Wang,Zhiwang Yang,Xiaoping Gao
Developing cost-effective photocatalysts with high activity remains a key challenge in photocatalysis. In this study, a low-cost nickel phosphide (Ni2P) cocatalyst was combined with MIL-53(Fe) to fabricate Ni2P/MIL-53(Fe) nanocomposites via a simple hydrothermal method. The as-prepared composites were systematically characterized by XRD, FT-IR, SEM, UV-vis DRS, PL, and EIS to evaluate their structural, morphological, optical, and electrochemical properties. The introduction of Ni2P significantly promoted the separation of photogenerated electron–hole pairs on the MIL-53(Fe) surface, thereby enabling valence band holes (h+) to participate in alcohol oxidation, as confirmed by photoelectrochemical analysis. Under optimized conditions, the Ni2P/MIL-53(Fe) nanocomposite achieved a significant photocatalytic alcohol conversion rate of 74%, which is 7.4-fold and 2.5-fold higher than those of pristine Ni2P and MIL-53(Fe), respectively. Furthermore, mechanistic studies revealed that valence band holes are primarily responsible for the selective oxidation of aromatic alcohols.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2026
·
IF 3.9
Bao Zien,Ren Xiaohong,Rong Zeming
The selective upgrading of lignin-derived compounds into
high-value
chemicals remains a critical challenge. In this study, a series of
Ni-based catalysts supported on Hβ zeolite and modified with
secondary metals (Zn, Fe, and Cu) were synthesized and systematically
evaluated for the catalytic conversion of 4-propylguaiacol in aqueous
phase under hydrogen-free conditions. Among the catalysts studied
at 220 ° C for 2 h, Ni/Hβ delivered a conversion of 36.1%
and a phenolic selectivity of 89.6%. By comparison, NiZn/Hβ
exhibited the highest catalytic activity, achieving a conversion of
82.9% with a selectivity of 96.5%, indicating the promotional effect
of Zn incorporation. NiFe/Hβ showed a moderate conversion of
45.5% but maintained a high phenolic selectivity of 97.6%. However,
NiCu/Hβ showed almost no catalytic activity, with a conversion
of only 2.0%. Structural characterization by XRD, XPS, N 2 physisorption, H 2 -TPR, SEM, and TEM revealed that the
introduction of Zn significantly improved the dispersion of Ni species
and reduced Ni crystallite size, thereby increasing the number of
accessible active sites. In contrast, Fe incorporation altered the
catalyst structure and reduced catalytic activity, while Cu addition
induced metal aggregation and markedly suppressed catalytic performance.
The results indicate that appropriate second-metal modification can
effectively regulate the metal dispersion, microstructure, and metal–support
interactions in Ni/Hβ catalysts, thereby influencing the hydrogen
activation ability and the cleavage of Ar–CO 3 bonds.
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CATALYSIS TODAY
·
2026
·
IF 5.1
Xiaoyi Liu,Yuhang Xu,Hong Chen,Yao Wang,Yuanlin Chen,Runzhao Zhang,Yongqi Tang,Yongdan Li
Sunlight-driven conversion of biomass into value-added chemicals is crucial for building a sustainable energy future. However, this process often suffers from inefficient light utilization and unclear regulation of reactive oxygen species in photocatalysis. An Fe-doped graphitic carbon nitride (CNFe) photocatalyst was synthesized via a thermal polymerization method and 71.53% conversion of 5-hydroxymethylfurfural (HMF) with 55.56% selectivity to 2,5-furandicarboxylic acid (FDCA) were achieved under visible light. The catalyst was reused for at least four consecutive cycles without significant activity loss, demonstrating good recyclability and stability. Fe doping created a porous sheet-like structure with uniformly embedded Fe 3 O 4 nanocrystals and active Fe-N x sites, which enhanced visible-light absorption and charge separation. The Fe 3 O 4 /g‑C 3 N 4 Z‑scheme heterojunction, synergizing with the redox‑active Fe 3+ /Fe 2+ sites, facilitates efficient O 2 activation to generate selectively superoxide radicals (•O 2 - ). This work demonstrates a feasible strategy for designing efficient non-noble-metal photocatalysts and provides deeper insight into ROS regulation for the sustainable upgrading of biomass-derived feedstocks.
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FOOD CHEMISTRY
·
2026
·
IF 10.4
Weiqiao Yang,Wenjuan Wang,Ruxia Zhao,Xiaoyu Jia,Wen Cao,Hui Liu,Xiaoliang Duan
This study proposes a novel approach for fabricating a high-efficiency, oxygen-scavenging 1,2-polybutadiene (PB)/Fe(II)salen fibrous film (PBUF) via electrospinning, aimed at improving the oxidative stability of edible oils. By optimizing the process using response surface methodology with a Box-Behnken design (RSM-BBD), the PBUF with a minimum fiber diameter of 1.18 μm and a defect-free microscale structure was successfully prepared in a single step. Owing to its high surface area and porous structure, PBUF showed an increase in maximum oxygen-scavenging uptake of 56.07% and 1003.88% compared to the 1,2-polybutadiene (PB)/Fe(II)salen cast film (PBCF) and a commercial iron-based scavenger, respectively ( p < 0.05).When placed in the headspace of sealed walnut oil during accelerated oxidation (63 °C for 15 days), the PBUF (5 mg/g) can significantly inhibit the oil oxidation, resulting in reductions of 27.10% in peroxide value (PV), 36.19% in conjugated dienes (CD), and 52.10% in p-anisidine value (p-AV).
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PubMed
高影响因子
Surfaces and Interfaces
·
2026
·
IF 6
Wenyuan Long,Haonan Niu,Ziqi Wang,Jiaqi Qiu,Jingyu Ran,Zhongqing Yang
CO 2 -assisted oxidative dehydrogenation of ethane to ethylene is a potential low-carbon process for CO 2 utilization and ethane upgrading. The key bottleneck of this reaction is the extent to which catalytic active sites can efficiently activate C=O bonds in CO 2 and precisely control the selective cleavage of C–C/C–H bonds in ethane. Herein, combined with catalytic activity evaluation, catalyst characterization, and density functional theory (DFT) calculations, this study systematically investigates the effect of rare earth metal (Ce, La, and Y) modification on the performance of Fe/ZrO 2 catalysts in ethane dehydrogenation with CO 2 . The results demonstrate that the Y-modified 3Fe/3Y-ZrO 2 catalyst achieves an ultrahigh C 2 H 4 selectivity of 89.8%. The underlying mechanism is as follows: Y doping markedly strengthens the metal-support interaction and lowers the formation energy of oxygen vacancies, thereby generating more oxygen vacancies. This enhancement promotes the mobility of active oxygen species, facilitating the release of more lattice oxygen, which acts as active sites to efficiently promote the cleavage of C–H bonds in ethane, thereby improving ethylene selectivity. Meanwhile, the O* species derived from reductive oxygen vacancies (O v ) are replenished through the cleavage of C=O bonds in CO 2 , further strengthening CO 2 activation. Additionally, Y doping enhances the specific surface area and pore volume of the 3Fe/3Y-ZrO 2 catalyst, increasing the exposure of active sites and further enhancing catalytic performance. This study provides novel research insights for the directed high-value conversion of CO 2 .
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