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Sustainable Materials and Technologies · 2024 · IF 8.6

Optimizing construction of fern-like Co3O4@Ni3Fe-LDH p-n heterojunction for boosting photo-assisted-electronic N2 reduction into NH3 and DFT calculation

Lei Guo,Yan-He Chen,Li-Mei Xu,Xiao-Lu Chen,Jin-Qiu Shen,Jian-Yong Zhang,Zhen-Jiang Liu

Herein, a fern-like p-n heterojunction by anchoring Ni 3 Fe-LDH nanoplates onto Co 3 O 4 nanoneedles have been optionally constructed. Essentially, p-n heterojunction ensured to induce strong built-in electric field, and inherit interfacial electron redistribution. Based on their compatible and well-matched electronic band structures, a staggered type-II photo-generated electron/holes transfer pathway have been elaborated by density functional theory calculation (DFT), in situ irradiation X-ray photoelectron spectroscopy (XPS), and fluorescent decay. This band bending and charge migrating module conferred the architecture with strong redox ability, sufficient exciton dissociation, and admirable optoelectronic characteristics. Moreover, the heterostructure acquired broad absorption spectrum to exhibit outperforming photocatalytic effect. Totally, this electron redistribution at the hierarchical interface, a type-II scheme charge-transfer pathway and the oxygen defects would lead to high efficiency in solar light assisted N 2 reduction. Typically, Co@Ni 3 Fe-2 catalyst exhibited the highest NH 3 production rate of 16.15 μg h −1 mg cat. −1 and Faraday efficiency (FE) of 31.57% at −0.6 V vs. RHE in 0.1 M Na 2 SO 4 solution. Fortunately, with light exposure, the NH 3 production rate and FE could increase by 27.9% and 18.1% than that under dark. This work would provide a plausible attitude towards the design of high efficient photocatalyst for artificial photosynthesis with multi-functionalized coupling effect.

CAS / MDL: 12125-02-9 69-72-7
研究领域: 材料科学 · 催化 · 光化学 · 理论化学
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CHEMICAL ENGINEERING JOURNAL · 2023 · IF 15.1

Hydrogenation of fatty acids to fatty alcohols over Ni3Fe nanoparticles anchored on TiO2 crystal catalyst: Metal support interaction and mechanism investigation

Feng Long,Shiyu Wu,Yuwei Chen,Xincheng Cao,Jiaping Zhao,Peng Liu,Jianchun Jiang,Xiaolei Zhang,Junming Xu

Catalytic transformation of fatty acids into fatty alcohols is the essential step to produce renewable energy and high-valuable chemicals from waste fatty acids. In this research, a series of Ni 3 Fe catalysts were synthesized to improve this transformation, specifically that the Ni 3 Fe anchored on TiO 2 surface has performed excellent activity with a high alcohol yield reaching 91.2%. The structure–reactivity relationship between the Ni 3 Fe nanoparticles on different crystal types of TiO 2 (anatase: A-TiO 2 , rutile: R-TiO 2 ) was investigated. It was found that the as-prepared Ni 3 Fe/R-TiO 2 catalyst showed better catalytic performance than that of Ni 3 Fe/A-TiO 2 . Both experimental and density functional theory (DFT) computational results indicated that the interactions between Ni 3 Fe nanoparticles and R-TiO 2 support have highly promoted the formation of oxygen vacancy (O v ), which plays an essential role in C O and H H cleavage, thus promoting the hydrogenation towards fatty alcohols. Furthermore, the catalyst reusability tests showed that Ni 3 Fe/TiO 2 catalyst exhibited good stability over four times recycled and excellent suitability for industrial crude fatty acid conversion.

研究领域: 催化 · 材料科学 · 化学工程 · 可再生能源
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CARBON · 2020 · IF 8.821

Ni3Fe nanoalloys embedded in N-doped carbon derived from dual-metal ZIF: Efficient bifunctional electrocatalyst for Zn-air battery

Hongyu Gong,Xiangjun Zheng,Kai Zeng,Bo Yang,Xiu Liang,Le Li,Yuanyuan Tao,Ruizhi Yang

Developing non-noble oxygen electrocatalyst is of great importance in multiple energy conversion and storage technologies, for instance, metal-air battery , fuel cell and water electrolysis . Here, we report a bifunctional oxygen electrocatalyst derived from Ni–Fe dual-metal zeolitic imidazole frameworks, Ni 3 Fe nanoalloys embedded in N-doped carbon (Ni 3 Fe/N–C) containing carbon nanotube and porous carbon , which exhibits superior oxygen reduction and evolution reaction electrocatalytic performance. For oxygen reduction reaction , the onset potential and the half-wave potential of Ni 3 Fe/N–C are 0.92 V and 0.85 V, respectively, which are well consistent with those of commercial Pt/C. For oxygen evolution reaction , a low overpotential of 330 mV at 10 mA cm −2 is obtained for Ni 3 Fe/N–C, prominently better than that of commercial RuO 2 /C. Moreover, the oxygen reduction and evolution stability of Ni 3 Fe/N–C distinctly overmatches that of commercial Pt/C and RuO 2 /C. Benefiting from the favorable electrocatalytic activity and stability, the rechargeable Zn–air battery based on Ni 3 Fe/N–C exhibits smaller voltage gap (∼0.8 V) than the one based on commercial Pt/C and RuO 2 /C, and remarkable stability during 300-cycle discharge-charge test. The excellent performance can be attributed to the interaction between Ni 3 Fe nanoalloy and N-doped carbon, the unique nanostructure composed of carbon nanotube and porous carbons, and high graphitization degree.

研究领域: 材料科学 · 电化学 · 能源存储与转换 · 纳米技术
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ACS Applied Materials & Interfaces · 2020 · IF 8.758

Metal–Organic Framework-Derived Fe-Doped Ni3Fe/NiFe2O4 Heteronanoparticle-Decorated Carbon Nanotube Network as a Highly Efficient and Durable Bifunctional Electrocatalyst

Katam Srinivas,Yuanfu Chen,Bin Wang,Bo Yu,Yingjiong Lu,Zhe Su,Wanli Zhang,Dongxu Yang

Strategic design and fabrication of a highly efficient and cost-effective bifunctional electrocatalyst is of great significance in water electrolysis in order to produce sustainable hydrogen fuel in a large scale. However, it is still challenging to develop a stable, inexpensive, and efficient bifunctional electrocatalyst that can overcome the sluggish oxygen evolution kinetics in water electrolysis. To address the aforementioned concerns, a metal–organic framework-derived Fe-doped Ni3Fe/NiFe2O4 heterostructural nanoparticle-embedded carbon nanotube (CNT) matrix (Fe(0.2)/Ni-M@C-400-2h) is synthesized via a facile hydrothermal reaction and subsequent carbonization of an earth-abundant Ni/Fe/C precursor. With a novel porous nanoarchitecture fabricated by a Ni3Fe/NiFe2O4 heterostructure on a highly conductive CNT matrix, this catalyst exhibits exceptional bifunctional activity during water electrolysis over the Ni/Fe-based electrocatalysts reported recently. It delivers a low overpotential of 250 mV to achieve a current density of 10 mA/cm2 with a small Tafel slope of 43.4 mV/dec for oxygen evolution reaction. It requires a low overpotential of 128 mV (η10) for hydrogen evolution reaction and displays a low overpotential of 1.62 V (η10) for overall water splitting. This study introduces a facile and straightforward synthesis strategy to develop transition metal-based nanoarchitectures with high performance and durability for overall water-splitting catalysis.

研究领域: 材料科学 · 电化学 · 纳米技术 · 能源材料 · 催化
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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Ir nanodots decorated Ni3Fe nanoparticles for boosting electrocatalytic water splitting

Yaru Li,Yong-Chen Miao,Chen Yang,Yu-Xin Chang,Yu Su,Hong Yan,Sailong Xu

Developing low-cost and high-performance electrocatalysts for water splitting is crucial for advancing the hydrogen production. However, the large-scale practical application is highly dependent on the use of precious catalysts (such as IrO 2 and Pt/C). Herein, a composite of Ir nanodots (7.7 wt%) decorated Ni 3 Fe alloy on reduced graphene oxide (Ir/Ni 3 Fe/rGO) is prepared via an impregnation-reduction method as a bifunctional electrocatalyst for overall water splitting. The low-content decoration enables the composite to exhibit attractive electrocatlytic performances: requiring overpotentials of 254 and 36 mV at a current density of 10 mA cm −2 for the oxygen and hydrogen evolution reactions (OER and HER) in 1.0 M KOH solution, respectively, which surpass those of Ni 3 Fe/rGO (280 and 264 mV) and Ir/rGO (340 and 150 mV). In addition, the electrocatalyst-assembled Ir/Ni 3 Fe/rGO||Ir/Ni 3 Fe/rGO electrolyzer affords a decent cell voltage of 1.570 V at a current density of 10 mA cm −2 for overall water splitting, which outperforms those of Ni 3 Fe/rGO||Ni 3 Fe/rGO (1.730 V), Ir/rGO||Ir/rGO (1.790 V), and commercial IrO 2 ||Pt/C (1.574 V). Furthermore, X-ray photoelectron spectroscopy (XPS) result reveals the strong interfacial interaction between Ir and Ni 3 Fe species, density functional theory (DFT) calculations reveal that Ir species favor water dissociation and optimize the H* adsorption energy for HER, and reduce OOH* energy for OER; all of which give rise to the observed enhancement. The results can provide an effective strategy for designing and preparing low-cost and promising electrocatalysts for water splitting.

研究领域: 材料科学 · 催化化学
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FUEL PROCESSING TECHNOLOGY · 2022 · IF 8.129

Ni-Fe-Al LDH derived NiFe nanosheet for green diesel production from lipid hydrotreatment

Hao Zhu,Fei Wang,Jianchun Jiang,Zeng Zhang,Yuchan Du,Junfeng Feng,Xiaoxiang Jiang

In order to deal with the deficiency of active sites in Ni catalyst, Ni Fe nanosheet (Ni-Fe/Al 2 O 3 -NS) catalyst was synthesized by using Ni-Fe-Al LDH as the precursor. The catalyst was further utilized in the lipid hydrotreatment for green diesel production. With a lamellar structure and large Ni loading (more than 60%), the Ni-Fe/Al 2 O 3 -NS catalyst possessed abundant Ni sties with high dispersion, large surface area, and strong acidity. Moreover, in Ni-Fe/Al 2 O 3 -NS the highly active Ni 3 Fe phase was formed, which promoted the decarbonylation route in hydrotreatment. The Ni-Fe/Al 2 O 3 -NS catalyst achieved 98.7% conversion with 98.1% alkane yield in oleic acid hydrotreatment under very mild conditions (220 °C, 2 MPa of hydrogen pressure, 3 h). The catalytic performance of Ni-Fe/Al 2 O 3 -NS was much higher than traditional Ni-Fe/Al 2 O 3 and other catalysts reported in current related studies.

研究领域: 催化化学 · 能源材料科学
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DALTON TRANSACTIONS · 2023 ·Vol. 52 ·期 27 ·9254-9260 · IF 4

A low-content CeOx dually promoted Ni3Fe@CNT electrocatalyst for overall water splitting

Mingqi Sun,Shuai Zhang,Yaru Li,Chen Yang,Ying Guo,Lan Yang,Sailong Xu

Rational construction of low-cost and high-performance electrocatalysts for water splitting is crucial for the advancement of renewable hydrogen fuel. Hybridizing heterojunctions or noble metals is one typical strategy used to boost the electrocatalytic performance for either the oxygen evolution reaction (OER) or hydrogen evolution reaction (HER). Here, low-content CeOx (3.74 wt%) is introduced into Ni3Fe nanoparticle-encapsulated carbon nanotubes (Ni3Fe@CNTs/CeOx), with both the OER and HER activities boosted, as a bifunctional electrocatalyst for overall water splitting. The composite is derived by pyrolyzing a mixture of melamine/ternary NiFeCe-layered double hydroxide. The composite electrocatalyst requires low overpotentials of 195 and 125 mV at 10 mA cm−2 in 1.0 M KOH, respectively, which are superior to those of Ni3Fe@CNTs/NF (313 and 139 mV) and CeOx/NF (345 and 129 mV), and in particular, OER overpotentials of 320 and 370 mV at 50 and 100 mA cm−2, respectively. Moreover, the composite-assembled electrolyzer for overall water splitting requires a current density of 10 mA cm−2 at a decent cell voltage of 1.641 V. Furthermore, the enhancement is elucidated by the synergistic effect: the dual role of CeOx in boosting the OER and HER, the highly conductive carbonaceous CNTs, large electrochemically active surface area and low charge-transfer resistance. The results can offer an effective route for designing and preparing low-cost and high-efficiency electrocatalysts for electrocatalytic water splitting.

研究领域: 材料科学 · 能源科学
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CHEMICAL ENGINEERING JOURNAL · 2022 · IF 16.744

Highly efficient, field-assisted water splitting enabled by a bifunctional Ni3Fe magnetized wood carbon

Yaoxing Wang,Ying Shang,Zhifeng Cao,Kaizhu Zeng,Yanjun Xie,Jian Li,Yonggang Yao,Wentao Gan

Various strategies have been used to improve the performance of non-noble catalysts, such as alloying, doping, and fine structure modulations. Herein, we reported a magnetic field-enhanced, bifunctional Ni 3 Fe/wood carbon electrode (Ni 3 Fe-CW) for efficient overall water splitting. Wood with numerous porous channels allows high loading of metal ions via the hydrothermal method, while the following high-temperature calcination leads to well-dispersed and uniform Ni 3 Fe nanoparticles , which are both electrocatalytically and magnetically active. As a result, the Ni 3 Fe-CW shows low overpotentials of 237 mV and 76 mV at 10 mA cm −2 for both oxygen and hydrogen evolutions under magnetic field (300 mT by a permanent magnet). Density functional theory calculations demonstrate that the Ni 3 Fe exhibits strong spin polarization under magnetic field with accelerated electron transfer , leading to lower reaction energy barrier and enhanced catalytic activities . Importantly, the electrolytic cell constructed by the bifunctional Ni 3 Fe-CWs as both cathode and anode displays a low cell voltage of 1.54 V at 10 mA cm −2 with an appropriate stability over 50 h (with a passive magnet). Considering the ubiquitous application of magnetic Fe, Co, Ni in catalytic reactions and the passive-radiation role of magnet, our strategy is promising for many energy conversion technologies toward highly efficient catalysis.

CAS / MDL: 7782-61-8 13478-00-7
研究领域: 材料科学 · 催化化学 · 能源技术
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ACS Applied Materials & Interfaces · 2026 · IF 7.8

Carbonized-Wood-Supported Ni3Fe@Ni Core–Shell Nanoparticles as Integrated Catalysts for Highly Efficient Water Splitting

Chenliang Ye,Wei Zheng,Zhiguo Wang,Hao Chen,Yu Zhang,Zhiye Cheng,Haonan Ye,Shaoxuan An,Miaolun Jiao

The oxygen evolution reaction (OER) is a crucial half-reaction in water electrolysis. Currently, the sluggish kinetics of the OER limit the efficiency of water electrolysis, making the development of advanced OER catalysts imperative. Herein, utilizing carbonized wood (CW) as a self-supporting conductive substrate, we synthesized ultrafine Ni3Fe@Ni core–shell nanoparticles featuring a surface Ni3Fe alloy on unalloyed Ni nanoparticles. Ni3Fe@Ni/CW exhibits a low overpotential of 290 mV at 100 mA cm–2 with excellent stability, outperforming Ni3Fe/CW, Ni/CW, and RuO2/CW. In an overall water splitting electrolyzer, Ni3Fe@Ni/CW delivers a low cell voltage of only 1.74 V at 100 mA cm–2 with outstanding long-term stability. This unique surface-interior heterostructure, where the unalloyed Ni nanoparticles modulate both the geometric configuration and d-band center of the surface Ni3Fe alloy, optimizes the adsorption energetics of oxygen intermediates. Accordingly, for both Ni3Fe/CW and Ni/CW, the rate-determining step (RDS) is the conversion of O* to OOH*. In contrast, the RDS for Ni3Fe@Ni/CW is the OOH* to O2 step with a significantly lower energy barrier, accounting for its excellent OER performance. This work highlights the immense potential of surface-interior engineering for the rational design of high-performance OER catalysts.

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DALTON TRANSACTIONS · 2022 ·Vol. 51 ·期 39 ·14960-14969 · IF 4.569

Ni3Fe/BC nanocatalysts based on biomass charcoal self-reduction achieves excellent hydrogen storage performance of MgH2

Quanhui Hou,Jiaqi Zhang,Zhu'An Zheng,Xinglin Yang,Zhao Ding

Bimetallic catalysts offer unique advantages for improving the hydrogen storage performance of MgH2. Herein, Ni3Fe/BC nanocatalysts were prepared via a simple solid phase reduction method using a low-cost biomass charcoal (BC) material as the carrier. The onset temperature of hydrogen release for the MgH2 + 10 wt% Ni3Fe/BC composite was 184.5 °C, which is 155.5 °C lower than that of pure MgH2. The dehydrogenated composite starts to absorb hydrogen at as low as 30 °C and is able to absorb 5.35 wt% of H2 within 10 min under 3 MPa hydrogen pressure at 150 °C. In comparison to pure MgH2, the apparent activation energies of dehydrogenation and rehydrogenation of MgH2 + 10 wt% Ni3Fe/BC were reduced by 52.89 kJ mol−1 and 23.28 kJ mol−1, respectively. The hydrogen storage capacity of the composite was maintained in 20 de/rehydrogenation cycles, indicating a good cycling stability. X-Ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray energy dispersive spectroscopy (EDS) characterization reveal that the in situ formation of multiphases Mg2Ni and Fe catalysts during the hydrogen uptake and release reaction and the transformation of Mg2Ni/Mg2NiH4 together contribute to the superior hydrogen adsorption and desorption performance of MgH2.

CAS / MDL: 7782-61-8 13478-00-7
研究领域: 材料科学 · 能源存储
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DIAMOND AND RELATED MATERIALS · 2024 · IF 4.3

Oxygen vacancy and heterointerface engineering of Ni3Fe/NiFe2O4 @N-GTs oxygen evolution reaction electrocatalyst for water splitting

Jiachen Zou,Guanying Song,Anguo Cui,Zhenjiang Li

Developing highly efficient electrocatalysts for oxygen evolution reaction (OER) plays a key role in accelerating electrochemical water splitting green energy conversion systems. Herein, the dual strategy of incorporating oxygen vacancy and engineering heterointerface was employed for constructing N-doping graphene tubes (N-GTs) supported Ni 3 Fe/NiFe 2 O 4 heterostructure with abundant oxygen vacancies (Ni 3 Fe/NiFe 2 O 4 @N-GTs). Benefit from accelerating reaction kinetics and optimizing adsorption strength for reaction intermediates resulting from the synergistic effect of vacancies introduction and heterointerface formation, the optimized Ni 3 Fe/NiFe 2 O 4 @N-GTs catalyst exhibits remarkably enhanced OER performance with an overpotential of 230 mV to achieve a current density of 10 mA cm −2 , a low Tafel slope of 33 mV dec −1 and 330 h stability at the high current density of 100 mA cm −2 . Meanwhile, the full water splitting cell consisting of the Ni 3 Fe/NiFe 2 O 4 @N-GTs-350 anode and a Pt/C cathode delivers a low cell voltage of 1.58 V at 10 mA cm −2 and presents excellent durability for over 330 h of continuous operation at the current density of 10 mA cm −2 , demonstrating it promising electrocatalyst for potential applications in the hydrogen production field.

CAS / MDL: 12036-10-1
研究领域: 材料科学 · 能源化学
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JOURNAL OF ALLOYS AND COMPOUNDS · 2026 · IF 6.7

Modulating the d-band center of Ni3Fe via cobalt-interface engineering for efficient bifunctional overall water splitting

Siwei Sun,Xinxin Zhang,Haitao Yu,Ying Xie

NiFe alloy is regarded as a promising electrocatalyst for water splitting owing to its superior conductivity, tunable electronic structure, and abundant active sites. Nevertheless, its practical application is hindered by slow water dissociation kinetics and unfavorable adsorption of hydrogen intermediates. Herein, we develop a composite catalyst, denoted as Co/Ni 3 Fe@NC-3 through a coordination-pyrolysis route, where ZIF-67-derived Co nanoparticles are anchored on Ni 3 Fe@NC porous nanosheets. In 1 M KOH, the catalyst exhibits remarkable bifunctional activity, requiring overpotentials of 67 mV for HER and 240 mV for OER at 10 mA cm −2 . Notably, a symmetric electrolyzer based on this catalyst (Co/Ni 3 Fe@NC-3) (+||−) achieves overall water splitting at a low voltage of 1.499 V (10 mA cm −2 ), superior to the commercial Pt/C||RuO 2 benchmark (1.592 V), and sustains stable operation for 100 h at 100 mA cm −2 . In-situ electrochemical impedance spectroscopy (EIS) indicates that Co incorporation optimizes the interfacial electronic structure, leading to faster charge transfer and reduced impedance. Density functional theory (DFT) calculations and experimental results further demonstrate that Co-induced interfacial electron redistribution upshifts the d-band centers ( E d ) of Ni/Fe sites, strengthens the adsorption of H* and H 2 O, and thus synergistically enhances both HER and OER performance. This study highlights the effectiveness of interface engineering and electronic structure modulation, providing a viable strategy for designing advanced NiFe-based water-splitting catalysts.

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