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INORGANIC CHEMISTRY · 2025 · IF 4.7

One-Step Synthesis of 2D Nanosheet-Constructed FeNi-S@NF Nanoflowers for the Electrocatalytic Oxidation of 5-Hydroxymethylfurfural

Qitao Wu,Zhenzhen Lin,Yuzhi Zou,Wenxin Huang,Yanshi Li,Xiaosen Huang,Jiankai Wang,Javokhir Toshov,Sardor Donaev,Hengcong Tao,Shunli Li

Electrocatalytic oxidation of 5-hydroxymethylfurfural to prepare high-value-added chemicals is an effective solution for a sustainable alternative to fossil fuels. We report a novel one-step hydrothermal sulfurization strategy to construct hierarchical FeNi-S@NF nanoflower architectures comprising interconnected 2D nanosheets. This catalyst design synergistically integrates high conductivity (i.e., nickel foam (NF) substrate), abundant active sites (i.e., 2D nanosheet), and optimized electronic structure (i.e., sulfur doping), achieving exceptional electrocatalytic 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA) conversion. By optimizing the classical two-step hydrothermal sulfidation approach through precise control of metal ratios and sulfidation duration, we significantly enhanced the catalytic performance for the HMF oxidation reaction (HMFOR). Sulfur doping was found to substantially improve the catalyst’s adsorption capability for HMFOR intermediates, thereby enhancing both activity and selectivity toward FDCA production. The optimized FeNi-S@NF nanoflower catalyst demonstrated superior electrocatalytic performance in 1 M KOH + 50 mM HMF, achieving 98.41% conversion rate, 92.08% FDCA yield, and 89.19% Faradaic efficiency at an applied potential of 1.45 V vs a reversible hydrogen electrode (RHE), surpassing most reported transition metal-based electrocatalysts. This research work provides a new strategy for the rapid and low-cost synthesis of two-dimensional sulfide nanoelectrocatalysts for the efficient electrooxidation process of biomass derivatives.

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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2026 · IF 9.2

Artificial intelligence-assisted design of FeNi-LDH-NiTe needle-like array for high current density oxygen evolution reaction

Jieyu Zhang,Qianwei Chen,Sichen Wang,Xingyu Bai,Zhongchuang Liu,Jiangxiong Deng,Dongyu Wang,Yanmou Shao,Shu-Juan Bao

Active, stable, and low-cost alkaline oxygen evolution reaction (OER) catalyst is essential for large-scale hydrogen (H 2 ) production via electrochemical water splitting. Traditional catalyst design often relies on experience-driven, trial-and-error approaches, limits exploration efficiency. To overcome this, we present an artificial intelligence (AI)-assisted high-throughput framework combining large language models (LLMs)-based literature mining and Python-driven simulations. LLMs identifies FeNi-layered double hydroxide (FeNi-LDH) has excellent activity for OER while Python-based simulations propose a needle-like facilitate bubble detachment. In our experimental, the as-prepared FeNi-LDH exhibits good OER activity (237 mV at 10 mA cm −2 ). After growing FeNi-LDH on NiTe array, the needle-like FeNi-LDH-NiTe not only delivers enhanced activity (198 mV at 10 mA cm −2 ), but also exhibits faster bubble generation and migration, which allow it to stably work at high current density (1 A cm −2 ). The successful AI-guided catalyst design proposes a clear strategy to decouple kinetic and non-kinetic optimization for exploring excellent electrocatalyst.

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DALTON TRANSACTIONS · 2020 ·Vol. 49 ·期 29 ·10203-10211 · IF 4.174

Bimetallic FeNi-MIL-88-derived NiFe2O4@Ni–Mn LDH composite electrode material for a high performance asymmetric supercapacitor

Shaobin Li,Jing Pan,Fengbo Li,Li Zhang,Dongfeng Chai,Zhuanfang Zhang,Jianjiao Xin

A simple continuous hydrothermal method was used to synthesize a NiFe2O4@Ni–Mn LDH/NF composite. The layered structure provides a large void to transfer the electron effectively, and the composite materials exhibit remarkable electrochemical performance including excellent specific capacitance (1265 F g−1 at 1 A g−1) and remarkable cycling stability (the specific capacitance remains at 80.9% after 5000 cycles). In addition, the asymmetric supercapacitor exhibits a high energy density of 96.2 W h kg−1 at a power density of 700 W kg−1, and there is an extraordinarily good cycling stability with a capacity retention rate of 92.5% after 4000 cycles. The outcomes indicate that the NiFe2O4@Ni–Mn LDH/NF composite electrode has potential application as a high-performance supercapacitor.

研究领域: 材料科学 · 电化学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2023 · IF 9.9

High-density electron transfer in Ni-metal–organic framework@FeNi-layered double hydroxide for efficient electrocatalytic oxygen evolution

Tingting Wei,Jie Bie,Wenqing Wei,Shuang Chen,Xiaobing Xu,Wei Fa,Xinglong Wu

The electrochemical oxygen evolution reaction is a bottleneck reaction in hydrolysis and electrolysis because the four-step electron transfer leads to slow reaction kinetics and large overpotentials. This situation can be improved by fast charge transfer by optimizing the interfacial electronic structure and enhancing polarization. Herein, a unique metal (Ni) organic (diphenylalanine, DPA) framework Ni(DPA) 2 (Ni-MOF) with tunable polarization is designed to bond with FeNi-LDH (layered double hydroxides) nanoflakes . The Ni-MOF@FeNi-LDH heterostructure delivers excellent oxygen evolution performance exemplified by an ultralow overpotential of 198 mV at 100 mA cm −2 compared to other (FeNi-LDH)-based catalysts. Experiments and theoretical calculations show that FeNi-LDH exists in an electron-rich state in Ni-MOF@FeNi-LDH due to polarization enhancement caused by interfacial bonding with Ni-MOF. This effectively changes the local electronic structure of the metal Fe/Ni active sites and optimizes adsorption of the oxygen-containing intermediates. Polarization and electron transfer of Ni-MOF are further enhanced by magnetoelectric coupling consequently giving rise to better electrocatalytic properties as a result of high-density electron transfer to active sites. These findings reveal a promising interface and polarization modulation strategy to improve electrocatalysis .

研究领域: 材料科学 · 电化学
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY · 2025 · IF 8.3

From shape to function: Constructing gourd-shaped bimetal/semiconductor hybrids for boosted photocatalytic hydrogen evolution

Zhiping Yan,Ruiding Fei,Rui Fang,Shuyan Du,Yaru Yin,Xiao Li,Li Zhang,Huijuan Lin,Wenchao Wang

It's a successful strategy to enhance photodynamic of electron-involved photocatalytic hydrogen evolution reaction by the functionalized cocatalyst. Noble metals are widely used for photocatalytic H 2 production due to the suitable work function. However, the high cost and scarcity significantly restrict the overall benefit. Therefore, we engineered a cost-effective photocatalyst through FeNi alloy cocatalyst modification, wherein the unique gourd-shaped architecture enables significantly enhanced electron transport dynamics. Importantly, the intimate contact between the FeNi alloy and ZnSe semiconductor facilitates the formation of a Schottky junction at their interface. This Schottky junction acts as an efficient electron sink, promoting the directional transfer of photogenerated electrons from ZnSe to the FeNi cocatalyst while simultaneously suppressing detrimental charge recombination. As a result, the hybrid FeNi/ZnSe photocatalyst achieves an impressive hydrogen production rate of 3252.17 μmol g −1  h −1 under visible-light irradiation, which is higher than that of pristine ZnSe (1017.14 μmol g −1  h −1 ) by over 300 %, and exceeds Pt/ZnSe (2183.29 μmol g −1  h −1 ) by over 100 %. In addition, DFT calculations show a superior Gibbs Free Energy for photocatalytic H 2 production on the FeNi surface. This study not only provides valuable insights into the rational design and functional optimization of high-performance cocatalysts but also highlights the crucial role of Schottky junction-mediated interface engineering in boosting visible-light-driven photocatalytic H 2 evolution (PHE).

CAS / MDL: 7791-20-0
研究领域: 材料科学 · 纳米技术 · 催化 · 能量转换 · 物理化学
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Journal of Energy Storage · 2026 · IF 10.7

Metal-organic framework-derived FeNi nanoparticles/3D N, S, F tri-doped porous carbon nanoflower for Zn-air batteries

Wenji Liang,Mengdi Han,Zhenhua Qin,Jinguang Cai,Yun He,Jianfen Li

Exploring highly active, cost-effective, and long-life non-precious metal-based catalysts for the oxygen reduction/evolution reaction (ORR/OER) is extremely important for renewable energy conversion devices. Herein, a facile approach is proposed to fabricate a FeNi nanoparticles decorated 3D N, S, F tri-doped porous carbon nanoflower/nanotubes electrocatalyst (FeNi@NSFC) by a self-assembly pyrolysis process. The ammonium sulfate not only acts as a N and S source but also facilitates the self-assembly of 2D ZnFeNi-ZIF nanosheets into 3D nanoflowers. Meanwhile, the potassium fluoride serves as a F source and regulates the crystal growth as well as pore structure. The 3D nanoflower/nanotube structure benefits the exposure of reactive species and mass/charge transport. The optimized FeNi@NSFC catalyst achieved outstanding bifunctional catalytic performance with an overpotential gap (0.655 V), which was lower than the Pt/C + RuO 2 catalyst (0.670 V). Theoretical findings also revealed that the introduction of N, S and F atoms could tailor the electronic structure of FeNi nanoparticles, thereby enhancing the catalytic activity for ORR. Therefore, the FeNi@NSFC-assembled Zinc-air batteries (ZABs) delivered a peak power density (156.2 mW cm −2 ), and long-term cycle durability (550 h), surpassing Pt/C + RuO 2 -assembled ZABs. This work demonstrates a promising avenue for developing MOF-derived catalysts with well-defined morphology and multi-atom doping.

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Journal of Magnesium and Alloys · 2026 · IF 15.8

Synthesis of sulfur self-doped FeNi–S coordinated carbon derived from petroleum coke for accelerated Mg/MgH2 hydrogen storage

Yulin Huang,Fenghua Wei,Yang Zhang,Xinan Zhang,Yiming Wang,Chen Huang,Yuke Li,Jingcai Chang

Interactions between metals and heteroatom-coordinated sites on the carbon matrix are crucial for enhancing the kinetics and thermodynamics of Mg/MgH 2 . Herein, we reported a sustainable K 2 FeO 4 activation strategy that converts high-sulfur petroleum coke into a sulfur self-doped porous carbon hosting FeNi–S coordinated active sites. Tailoring the alloyed electronic structure and exposing more catalytically active sites substantially enhanced the hydrogenation and dehydrogenation kinetics of Mg/MgH 2 with (FeNi)S@PPC. Its peak dehydrogenation temperature was 95.39 °C lower than that of ball-milled MgH 2 . In addition, it enabled MgH 2 to release 4.89 wt.% H 2 within 20 min at 275 °C, exceeding its sulfur-free counterpart (FeNi)@PPC by 1.41 wt.%. Moreover, the (FeNi)S@PPC/MgH 2 showed 99.5% capacity retention after 30 cycles, indicating excellent reversibility. Mechanistic investigations revealed that intrinsic sulfur self-doping induced a stable FeNi–S coordination environment, which lowered the D-band center of FeNi to −1.349 eV. The electronic redistribution was found to weaken the FeNi–(H) intermediate, lowering the dissociation and diffusion energy barrier by 0.39 eV and facilitating hydrogenation. This also reduced the energy required for Mg–H dissociation into H 2 by 0.65 eV. Consequently, the dehydrogenation activation energy was decreased to 97.09 kJ·mol − 1 , with the rate-limiting step shifting to a low-energy barrier three-dimensional interfacial reaction (R3 model). Overall, this study establishes a green valorization route for high-sulfur petroleum coke and elucidates a fundamental metal–sulfur charge transfer mechanism that substantially enhances magnesium-based hydrogen storage.

CAS / MDL: 7782-42-5
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ACS Catalysis · 2026 · IF 13.6

Tightly Coupled FeNi Alloy/NiO Interface Derived from an LDH Precursor Promotes Deep Hydrodeoxygenation of p -Cresol

Guosong Wang,Dong Zhang,Yihui Song,Haitao Meng,Dan Li,Chong Peng

Abstract Hydrodeoxygenation (HDO) of lignin derivatives is a promising strategy for biomass utilization, but its catalytic performance is often unsatisfactory for non-noble metal catalysts. This hinders the industrialization process of biomass utilization. Herein, we obtained a FeNi-Cop catalyst with a tightly coupled interface between FeNi alloy and NiO by a hydrotalcite-derived strategy. The effect of this interface on the p-cresol HDO was studied by XRD, HRTEM, H2-TPR, NH3-TPD, XPS, in situ FTIR, and DFT calculations. FeNi-Cop catalyst facilitates hydrogen activation and can promote the dehydration reaction of methylcyclohexanol, a key intermediate, through the electronic regulation of the interface and acid sites. High space-time yield (STY) of methylcyclohexane was obtained, and good catalytic performance could be maintained after 10 cycles. This tightly coupled alloy/oxide interface provides a feasible approach for the design of non-noble metal catalysts.

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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Hollow FeNi Prussian blue nanocages with enhanced peroxidase-mimicking activity for colorimetric detection of mercury ions and L-cysteine

Dai Lu,Xing Tian,Zixuan Fu,Sizhao Yang,Yixing Qiu,Yupei Yang,Bin Li,Wei Wang

Despite extensive research into nanozymes, developing highly active catalysts with broad application potential remains a significant challenge. In this study, we synthesized hollow FeNi Prussian blue analog (H-FeNi PBA) nanocages through a straightforward chemical etching method, using FeNi PBA nanocubes as precursors. The resulting H-FeNi PBA nanocages exhibited enhanced peroxidase-mimetic activity, attributed to their increased specific surface area, pore volume, and Fe 2+ content. Leveraging this activity, we developed a novel colorimetric sensing platform for the detection of mercury ions (Hg 2+ ) and L-cysteine (Cys). The platform operates based on the peroxidase-mimetic activity of H-FeNi PBA nanocages, the inhibitory effect of Cys on this activity, and the restoration of activity through the specific complexation between Cys and Hg 2+ . After optimization, the platform demonstrated wide linear detection ranges (0.1–42 μM for Hg 2+ and 1–64 μM for Cys) and low detection limits (0.035 μM for Hg 2+ and 0.24 μM for Cys). The method was successfully applied to detect Hg 2+ and Cys in real samples, showcasing its potential for environmental monitoring and biomedical applications. This work not only provides a simple strategy for synthesizing highly active nanozymes but also highlights their potential in biosensing and catalysis.

研究领域: 生物化学 · 纳米生物学 · 环境科学 · 分析化学
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RARE METALS · 2022 ·Vol. 41 ·期 12 ·4127-4137 · IF 6.318

FeNiS2/reduced graphene oxide electrocatalysis with reconstruction to generate FeNi oxo/hydroxide as a highly-efficient water oxidation electrocatalyst

Ren Xiao-Zhen,Li Xue-Hui,Peng Yu-Jie,Wang Guan-Zhi,Yin Jie,Zhao Xing-Chuan,Wang Wei,Wang Xiao-Bai

It is critical to developing electrocatalysts with highly active and cost-effective for oxygen evolution to resolve environmental pollution and energy issues, in which FeNi-based nanomaterials hold a great promise. Herein, (Fe 0.33 Ni 0.67 )S 2 and (Fe 0.33 Ni 0.67 )S 2 /reduced graphene oxide (rGO)- x % ( x  = 10, 20) composites, which exhibited highly efficient oxygen evolution reaction (OER) electrocatalytic activity under alkaline conditions, were synthesized via a hydrothermal approach and following thermal treatment with sulfur powders. Benefiting from the integrated structure of (Fe 0.33 Ni 0.67 )S 2 and support of conductive graphene backbones, (Fe 0.33 Ni 0.67 )S 2 /rGO-20% electrocatalyst showed the best OER activity with an overpotential of 172 mV at 10 mA·cm −2 and Tafel slopes of 45 mV·decade −1 . The composition, phase, and surface structure of the catalyst were characterized before and after OER reaction. The results indicated that crystal phase of the catalyst was reconstructed to the amorphous crystalline features after OER, with oxidation of iron-nickel sulfide and appearance of Ni–Fe oxo/hydroxide species, which may play a crucial role in the high OER performance as the catalytic-active. Moreover, in a two-electrode system towards overall water splitting with (Fe 0.33 Ni 0.67 )S 2 /rGO-20%/NF and Pt/C/NF as the anode and cathode, respectively, the catalysts exhibited excellent catalytic performance with the voltage of only 1.42 V at 10 mA·cm −2 . Graphical abstract

研究领域: 材料科学 · 电化学
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RENEWABLE ENERGY · 2023 · IF 8.7

Importance of oxyphilic FeNi alloy in NiFeAl catalysts for selective conversion of biomass-derived 5-hydroxymethylfurfural to 2,5-dimethylfuran

Yuewen Shao,Mingzhu Guo,Mengjiao Fan,Kai Sun,Guoming Gao,Chao Li,Félix Mérimé Bkangmo Kontchouo,Lijun Zhang,Shu Zhang,Xun Hu

2,5-Dimethylfuran (DMF) is a promising fuel additive. Its selective production from 5-hydroxymethylfurfural (HMF) requires effective hydrodeoxygenation and simultaneous retainment of C C in furan ring, which is challenging over nickel-based catalysts. In this work, an alloying method was explored for selective conversion of HMF to DMF by introducing Fe species into Ni–Al catalysts to form oxyphilic FeNi alloy. The results showed that the formation of alloy in Ni–Fe–Al lowered the capability for adsorption and activation of hydrogen, reducing the activity for hydrogenation of the furan ring in HMF, forming mainly 2,5-dihydroxymethyl furan (DHMF) and 5-methylfurfuryl alcohol (5-MFA). In addition, the oxyphilic FeNi alloy had the high affinity for the adsorption/activation of C–OH in DHMF and 5-MFA, enhancing their hydrogenolysis to DMF. The kinetic study indicated that the hydrogenolysis of 2,5-dihydroxymethyl furan was the rate-determining step, showing a higher Ea (89.2 kJ mol −1 ) than that in hydrogenation of C O in HMF (59.7 kJ mol −1 ). Under optimized condition, DMF with yield of 93.4% from HMF was achieved over 1.5Ni-1.5Fe-1.0Al catalyst. In comparison with Ni–Al, 1.5Ni-1.5Fe-1.0Al also showed much higher resistivity towards sintering of metallic species, rendering the catalyst with superior catalytic stability.

CAS / MDL: 68-12-2 67-47-0
研究领域: 化学工程 · 催化材料
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY · 2023 · IF 4.5

Formation of feathery-shaped dual-function S-doped FeNi-MOFs to achieve advanced electrocatalytic activity for OER and HER

Lin Wu,Jie Feng,Zhijuan Zou,Kunpeng Song,Chunmei Zeng

It’s still a challenge to design reasonably efficient catalyst based on non-noble metal for water decomposition. Herein, we prepared a self-supported S-NiFe/NFF catalyst by sulfurated NiFe-based metal–organic framework on the NiFe foam (NFF) through a simple solvothermal method. Benefiting from the direct contact with the conductive NiFe foam matrix, the electronic environment of the active site regulated by heteroatomic oxygen and sulfur, and the positive synergistic effect between nickel and iron, the catalyst S-NiFe/NFF shows outstanding electrocatalytic activity for oxygen evolution (OER) and hydrogen evolution (HER) reactions with a low overpotential of 174 mV and 150 mV at a current density of 10 mA cm −2 in alkaline electrolyte, respectively; and the S-NiFe/NFF‖S-NiFe/NFF cell only needs 1.50 V battery voltage to reach the current density of 10 mA cm −2 . This work reports a highly efficient water decomposition catalyst, which indicates that non-noble metal-based electrocatalysts have great potential applications in the water electrolysis field, and provides a basis for rational design and synthesis of MOF-derived catalysts with unique structures.

研究领域: 材料科学 · 电化学
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