Journal of Materials Chemistry A
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2026
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IF 9.2
Hamza M. Haruna,Yanxiang He,Zhixiao Zhu,Hao Yang,Selvam Mathi,Guanhua Zhang,Zhongmin Wang,M. Sadeeq Balogun
Controlling phase evolution during nitridation is essential for creating active interfaces in multi-metal electrocatalysts. However, the nitridation pathways in complex systems such as Mo-Fe-Ni molybdates remain poorly defined. Herein, tuning the Fe contents in the Fe-Mo precursor directly governs ammonia activation and drives nitridation-induced reconstruction. Increasing Fe concentration promotes NH3 decomposition, shifting the product from an oxide-rich phase (N-doped MoO2-FeMoO4-NiMoO4-NiO, denoted N/MoO2-MoFeNi-O) to a nitride-dominated heterostructure comprising MoO2, Mo2N, FeN and Ni4N (N/MoO2-MoFeNi-N). The optmized N/MoO2-MoFeNi-N nitride-oxide interfaces enhance electrical conductivity, optimize oxygen-intermediate adsorption, and improve corrosion resistance. As a result, N/MoO2-MoFeNi-N exhibits superior oxygen evolution performance in both alkaline freshwater and seawater, requiring overpotentials of only 309/392 and 334/499 mV to reach 500 and 1000 mA cm-2, respectively. DFT calculations identify the MoO2@FeN interface is the most active site with the lowest energetic barrier for the potential-limiting step. The catalyst also demonstrates efficient oxygen reduction activity, enabling high-performance zinc-air batteries with open-circuit voltage of 1.33 V, peak power density of 84.2 mW cm-2, and stable cycling over 140 h. This work clarifies the role of Fe in directing nitridation pathways, providing a rational route to construct durable, interface-rich nitride-oxide architectures for advanced oxygen atalysis.
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APPLIED CATALYSIS B-ENVIRONMENTAL
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2026
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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
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2025
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IF 6.3
Juan Huang,Xiaomin Lang,Mochou Zhang,ZiTao Liu,Yongbin Yang,Jianrong Liu,Hua Lin
The high cost of precious metals limits their use as effective catalysts for water electrolysis, while non-precious metal catalysts are more affordable but often underperform. A promising strategy to improve electrocatalytic performance and reduec costs is to incorporate noble metals onto non-precious substrates. This study successfully synthesized a trace Ru-doped FeNi 2 Ru 0.01 metal aerogel catalyst utilizing a one-step reduction method, resulting in a distinctive core-shell structure. The aerogel exhibits an overpotential of only 228 mV at a current density of 50 mA cm −2 and a stable operation time of up to 70 hours. Analysis reveals that the high specific surface area and porous architecture of the FeNi 2 Ru 0.01 aerogel facilitate the dispersion and exposure of trace Ru. In this configuration, Ru can serve as an active site following oxidation and aid in transforming Ni into the active species NiOOH, significantly boosting OER activity. This research provides a novel approach to optimizing metal aerogel catalysts through precious metal doping and lays a strong foundation for sustainable energy conversion and storage technologies.
研究领域:
材料科学
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能源化学
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
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2025
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IF 6.2
Huimin Mao,Zhengye Chen,Hong Tian,Shan Cheng,Lei Liu,Yanni Xuan,Yanshan Yin
Wheat straw (WS) baked at 260°C is used as raw material. The HZSM-5 was modified through alkali treatment (NaOH) and metal loading (Ni, Fe), followed by the introduction of MCM-41 layers onto the modified HZSM-5 to synthesize composite pore zeolites. A tubular furnace and Py-GC/MS were used to investigate the effects of different composite pore catalysts on the three-phase products and the distribution of bio-oil components during the catalytic fast pyrolysis(CFP) of WS. The use of 1 %FeAZ@M as a catalyst achieved the highest bio-oil yield (31.31 %). Introducing the micro-meso composite pore zeolite 0.3AZ@M as a catalyst resulted in the highest selectivity of monocyclic aromatic hydrocarbons (MAHs) in the bio-oil from WS CFP (52.12 %), along with a bio-oil yield of 26.50 %. The metal-modified composite pore zeolites exhibit enhanced acidity, which can further enhance the composition distribution in the bio-oil. The use of 1 %NiAZ@M as a catalyst resulted in the highest production of MAHs in the bio-oil from WS of CFP (60.67 %), with a bio-oil yield of 23.27 %. Among the bimetal-modified composite pore zeolites, 1 %Ni1 %FeAZ@M demonstrated the highest selectivity for MAHs, with MAHs in the bio-oil reaching 66.36 %, while the bio-oil yield increased to 28.41 %.
研究领域:
能源与环境科学
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材料化学
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DALTON TRANSACTIONS
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2025
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IF 3.3
Li Zhang,Youwen Li,Yuying Feng,Jiahui Jiang,Ting Zhao,Guancheng Xu
A trimetallic selenide electrocatalyst (Co, Fe, Ni)Se2 supported on nickel foam (NF) has been successfully synthesized for the oxygen evolution reaction (OER) and urea oxidation reaction (UOR). The catalyst was fabricated through a two-step strategy involving the formation of metal-organic frameworks (MOFs) precursors followed by a selenization reaction. The optimized (Co, Fe, Ni)Se2/NF-3:1 exhibited remarkable OER activity with an overpotential as low as 170 mV to achieve 10 mA cm-2, along with excellent stability over 1000 cycles. Its superior UOR performance with even lower overpotential further demonstrates promise for urea-assisted energy-saving hydrogen production. The enhanced electrocatalytic performance originates from the synergistic electronic modulation between Co, Fe, and Ni, the rough surface morphology facilitating mass and charge transport, and the highly conductive NF substrate enabling efficient exposure of active sites. This work provides valuable insights into the design of efficient multimetallic selenide electrocatalysts for sustainable electrochemical energy conversion.
研究领域:
电化学
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能源材料
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催化
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可持续能源
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材料科学
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PubMed
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2021
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IF 8.128
Di Chen,Guofu Li,Xing Chen,Qian Zhang,Jing Sui,Chengjie Li,Yingchao Zhang,Jing Hu,Jianhua Yu,Liyan Yu,Lifeng Dong
Rational construction of advanced bifunctional catalysts with dual-active-sites is still challenging for both oxygen reduction (ORR) and oxygen evolution reactions (OER). Herein, metal-doped dicyandiamide formaldehyde resin is innovatively exploited to synthesize N/Co/Fe/Ni multi-doped carbon nanotubes (denoted as CoFeNi@CNT) with metal-nitrogen-carbon (M N C) and CoFeNi nanoparticles as the ORR and OER active sites, respectively. Abundant active sites and high degree of graphitization enable CoFeNi@CNT with a high ORR half-wave potential of 0.82 V and a low OER overpotential of 440 mV at 10 mA cm −2 , which are comparable or superior to noble-metal catalysts. Particularly, the CoFeNi@CNT air electrode of rechargeable Zn-air batteries shows remarkable open circuit potential (1.46 V), discharge power density (152.3 mW cm −2 ), specific capacity (814 mAh g −1 ), and cycling stability for more than 250 h. It is worth emphasizing that this synthesis strategy is rather simple, low-cost, high yield, and the proportion and amount of doped metal ions can be easily adjusted according to the needs for different applications.
研究领域:
材料科学
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电化学
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能源存储与转换
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PubMed
高影响因子
ACS Applied Nano Materials
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2021
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IF 5.097
Tingting Wang,Yu Wu,Ying Han,Peiwen Xu,Yijun Pang,Xinzhen Feng,Hao Yang,Weijie Ji,Tao Cheng
Developing an efficient and low-cost electrocatalyst is important in energy conversion and storage, while it is challenging especially in the oxygen evolution reaction (OER) owing to the sluggish kinetic process. Hofmann-type metal–organic frameworks (MOFs) are layer-structured materials, and if they are synthesized in the form of regular-shaped and slim nanosheets, a higher density of exposed active sites and easier electron and mass transport will be expected. In the current study, we prepared such a type of Hofmann MOFs plus Ni site tuning for the OER. The characterizations verified the successful material synthesis and characteristics. Density functional theory (DFT) simulations proved that the Ni site modified by Fe atom is more efficient for the critical OH* as well as O* intermediate formation. Taking advantage of the designed unique structure configuration, the as-obtained Fe–Ni Hofmann-type MOF showed the OER activity with an overpotential of 290 mV at the current density of 10 mA cm–2 and a Tafel slope of 44 mV dec–1, the very best performance plus outstanding durability among the Hofmann-type MOFs for the OER known to date.
研究领域:
材料科学
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电化学
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能量转换与存储
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高影响因子
FUEL
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2025
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IF 7.5
Xingping Kai,Lesheng Wang,Tianhua Yang,Wenwen Yan,Zhaowei Liu,Bingshuo Li,Tao Zhang,Rundong Li
The extraction of lignin-derived pyrolysis oils has received much attention as a potential alternative to conventional petroleum-based fuels and chemicals. This study presented a one-step synthesis approach to prepare Fe-Ni bimetallic-modified lignin-based biochar (xFe-yNi/LC) catalysts, and investigated the effects of bimetallic interactions on aromatic hydrocarbon formation and its pathways during the ex-situ catalytic fast pyrolysis of enzymatically hydrolyzed lignin. The results demonstrated that the combination of Fe and Ni not only modified the porous structure of the catalyst but also formed Fe-Ni alloy, regulating the content of Lewis acid sites to enhance aromatic hydrocarbon production. When the catalyst was 20Fe-5Ni/LC, the Lewis acid site content reached a maximum of 38.68 μmol/g. Additionally, the aromatic hydrocarbon content reached a peak value of 19.06 area% when the ratio of lignin to 20Fe-5Ni/LC was 1:2. This represented an improvement of 47.98 % compared to the lignin pyrolysis without the catalyst. The bimetallic catalyst exhibited excellent thermal stability, with the aromatic hydrocarbon content still achievable at 8.66 area% after four cycles of experiments.
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CHEMICAL ENGINEERING JOURNAL
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2026
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IF 12.5
Qi Chen,Zefeng Yang,Yueling Chen,Jionghua Wu,Jimmy C. Yu,Ling Wu
The fabrication of single atoms on MIL-125(Ti) for photocatalytic ammonia synthesis. • SAs modulate the local electronic structure for charge mobility and separated active site. • The favorable N 2 activation and protons supply optimizes the reduction kinetics. • Magnetic field-induced spin flipping to charge utilization further boost the activity. Photocatalytic nitrogen fixation is an attractive alternative to the energy-intensive traditional ammonia synthesis. However, the major challenge is that most photocatalysts are limited by their low charge mobility, insufficient molecules activation and sluggish reaction kinetics. Herein, we integrated single atoms (Co, Fe, Ni) on MIL-125(Ti) functionalized with sulfhydryl (MIL-125(SH) 2 , MTS) to afford Co-MTS, Fe-MTS and Ni-MTS for photocatalytic nitrogen reduction. Through uniformly dispersed SAs (single atoms) coordinated with O and S atom, such intimate interaction and charge redistribution can efficiently regulate the unsaturated Ti sites for N 2 adsorption and activation. Moreover, the introduced SAs species also serve as separated active center for water oxidation to promote H 2 O adsorption and protons release, kinetically optimizing protons supply and energy barrier of rate rate-determining step for N 2 hydrogeneration. Benefited from the spatially separated metal node-SAs dual sites and favorable reaction energy barrier, the optimized Ni-MTS sample shows an ammonia yield rate of 72.6 μmol·g −1 ·h −1 with an apparent quantum efficiency of 0.49% at 400 nm. This can be further enhanced by magnetic field-induced spin flipping contributed to charge utilization. This work would inspire the development of other high-efficiency single atom/MOFs that combining molecular activation and protons supply for photocatalysis.
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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2026
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IF 9.2
Sheng Shen,Yu Fan,Bowen Lu,Cong Luo,Xiaoshan Li,Liqi Zhang
La promotes surface electron transfer in NiFe 2 O 4 to form La-Fe-O precursors. • In-situ LaFeO 3 perovskite scaffold physically confines and anchors active grains. • 20% La doping optimizes the synergy between active site exposure and stability. • Lattice reconstruction enables a high CO 2 conversion of 73% at 700 °C. • Stable CO 2 conversion above 97% over 30 h continuous operation. Catalytic hydrogenation of CO 2 to CO via the reverse water-gas shift (RWGS) reaction provides an attractive route for renewable hydrogen utilization and carbon recycling. NiFe 2 O 4 spinels are promising RWGS catalysts owing to abundant oxygen vacancies and excellent CO 2 activation capability. However, the reconstruction-induced aggregation of Fe-Ni active phases under reaction conditions severely limits durability. Herein, La modification regulates phase reconstruction, surface basicity, and oxygen environments. La-induced electron transfer promotes Ni reduction, modifies Fe-O coordination, and enriches defect-related and adsorbed oxygen species, enhancing CO 2 activation. Meanwhile, LaFeO 3 anchors Fe-Ni nanocrystals and suppresses FeO accumulation and sintering. Consequently, 20La 2 O 3 -NiFe 2 O 4 achieves 73.0% CO 2 conversion at 700 °C, and 2.33 times that of pristine NiFe 2 O 4 , while retaining approximately 97% of its initial conversion after 30 h. This work provides an effective strategy for active-phase stabilization, advancing the development of durable catalysts for efficient CO 2 hydrogenation. Download: Download high-res image (317KB) Download: Download full-size image
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Journal of Environmental Chemical Engineering
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2024
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IF 7.4
Yuqi Liu,Huanxin Zhao,Dan Wu,Xiaoyuan Shang,Mingyi Lv,Huixin Yu
Although single atom catalysts (SACs) have been recognized as a prospective catalyst in advanced oxidation processes (AOPs) via persulfate activation, they still confronted with the issues of metal atoms aggregation and limit loading amounts. For addressing these issues, single Co atoms that incorporated on Fe-Ni layered double hydroxides (FeNi-LDHs) with oxygen vacancies is fabricated. Employing it as the support of Co atoms can not only minimize the aggregation of single metal atoms but also conductive to increase their loading amounts (up to 3.26 wt%), which is expected to display an unprecedented catalytic activity. 100 % of TC (20 mg/L) can be eliminated within 5 min in Co-FeNi-LDH/PMS system. Radical and nonradical pathway collectively contributed to the TC elimination in Co-FeNi-LDH/PMS system, in which the electron transfer process in nonradical pathway is confirmed as the dominate mechanism via electrochemical studies and quenching experiments. PMS was adsorbed by Co-FeNi-LDH to form a Co-FeNi-LDH/PMS* complex during the PMS activation. Subsequently, TC is decomposed by transferring electrons to the Co-FeNi-LDH/PMS* complex via “donor-acceptor complex” mechanism. Benefiting from this mechanism, the Co-FeNi-LDH/PMS system displays superior anti-interference capability against inorganic anions. This study provides a unique insight on the skillful design and application of SACs.
研究领域:
环境科学
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催化化学
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高影响因子
ACS Applied Materials & Interfaces
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2022
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IF 10.383
Mingxiong Lin,Yifei Luo,Tingshi Zhang,Xiaoxin Shen,Zanyong Zhuang,Yan Yu
This work disclosed the trade-off effect of two metal sites, which display distinct, key functionalities in naturally occurring and artificial catalysts for developing an advanced CO2 reduction system. To exploit the metal–organic frameworks (MOFs) as advanced catalysts, we prepared a series of Prussian blue analogues (FeNix PBAs) of tunable Ni/Fe molar ratio without changing the oxidation state of Fe and Ni for use as a photocatalyst in the CO2 reduction reaction (CRR). The FeNi0.66 PBA gives a superior CO yield rate (14.28 mmol·g–1·h–1) with nearly 100% CO selectivity, but the PBA would be basically CRR-inactive without either Ni or Fe. Experimental and calculation studies demonstrate that Fe and Ni display distinct functionalities. Specifically, Fe is an efficient mediator that boosts the electron transfer both from the photosensitizer to FeNix PBA and from FeNix PBA to CO2, and Ni serves as the active site for CO2 adsorption and reduction. Intriguingly, when there is already sufficient Ni in the catalyst, further increase of the Ni content gives marginal gains in the CO2 adsorption affinity that cannot offset the weakened electron transfer due to the Ni excess. The findings can help advance the design of bimetallic MOF catalysts that mimic naturally occurring bimetallic catalysts.
研究领域:
材料科学
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催化化学
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高影响因子
危险品化学品经营许可证（带存储）