Journal of Energy Chemistry
·
2025
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IF 14.9
Xuyan Zhou,Zijie Yang,Yinnan Qian,Zhaoyan Luo,Lei Zhang,Qianling Zhang,Chuanxin He,Zhengtang Luo,Xiangzhong Ren
Oxygen evolution reaction (OER) is widely recognized as a bottleneck of water electrolysis. To determine the underlying reaction mechanisms, particularly the relative contribution of the adsorbate evolution mechanism (AEM) and lattice-oxygen participation mechanism (LOM), we conduct a comprehensive investigation combining Density Functional Theory (DFT) calculations and experimental validation. Our theoretical analysis of doped RuO 2 catalysts reveals that heteroatom doping (Ni, Cu, and Zn) induces significant local charge transfer, leading to the increased charge state of Ru and the downshifted d -band center. This, in turn, enables the mechanism switching from the conventional AEM to the more efficient LOM, and finally improves OER activity. We also establish a simple yet powerful descriptor, N e of Ru (representing charge density of Ru sites), which enables accurate prediction of both catalytic activity and stability. Guided by these theoretical predictions, we successfully synthesize a Ni-doped RuO 2 catalyst, which exhibits excellent OER activity and stability in acidic media, achieving an overpotential of just 156 mV and maintaining stability for 4000 h at 10 mA cm −2 , significantly surpassing the performance of the commercial RuO 2 . These findings not only provide fundamental insights into the mechanism-switching behavior in OER catalysis but also offer a practical strategy for designing high-performance, stable electrocatalysts for acidic water electrolysis.
研究领域:
电催化
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材料化学
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物理化学
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能源科学
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纳米材料
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电化学水裂解
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Nano Materials
·
2026
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IF 5.8
Yun Hu,Wei Wang,Fang Han,Zhicheng Wang,Qingqing Guo,Tianyu Chen,Fei-Yan Yi
The oxygen evolution reaction (OER) remains a major bottleneck in electrochemical water splitting due to its sluggish kinetics and high overpotential. Replacing the OER with thermodynamically more favorable oxidation reactions, such as the urea oxidation reaction (UOR) and methanol oxidation reaction (MOR), offers a promising strategy to reduce energy consumption while enabling value-added chemical production or wastewater treatment. In this work, a hydrangea-like trimetallic FeCoNi nanoalloy grown on nickel foam (FeCoNi/NF) and its nanosulfide (S–FeCoNi/NF) are developed as a unified electrocatalytic platform for OER, UOR, and MOR. The S–FeCoNi/NF electrode exhibits significantly enhanced performance, achieving an overpotential of 196 mV for OER and low operating potentials of 1.348 and 1.325 V for UOR and MOR, respectively, at 10 mA cm–2, surpassing the undoped FeCoNi/NF, outperforming most of the reported electrocatalysts. Experimental results reveal that sulfur doping effectively modulates the electronic structure, increases active site availability, and accelerates the reaction kinetics. This work highlights the potential of ternary transition metal sulfides as multifunctional electrocatalysts for energy-saving hydrogen production coupled to organic oxidation.
✓ 已验证
DOI
高影响因子
Journal of Materials Chemistry A
·
2019
·Vol. 7
·期 20
·12538-12546
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IF 10.733
Wanhua Wang,Yi Yang,Daoming Huan,Likun Wang,Nai Shi,Yun Xie,Changrong Xia,Ranran Peng,Yalin Lu
Driven by the increasing global energy demand, the development of innovative energy conversion and storage systems is becoming more and more urgent. As one of the attractive means, water splitting has attracted widespread attention because of its great potential in storing electricity in the form of chemical fuel which also makes it a promising solution to the utilization of non-grid electricity generated by solar or wind. The oxygen evolution reaction (OER) is generally deemed as the key rate-limiting step of water splitting, and thus studying efficient OER electrocatalysts with a low overpotential and good stability is of vital importance. Here, we successfully prepared an OER catalyst with excellent electrochemical performance through a simple anion doping. Firstly, a stable cubic perovskite SrCoO3−δ was prepared by anion F-doping instead of traditional A and/or B site doping. Secondly, SrCoO2.85−δF0.15 demonstrates excellent OER activity superior to its parent hexagonal compound H-Sr2Co2O5 and those perovskites prepared via complicated A- and/or B-site doping. DFT calculations and XPS investigations reveal that the cubic structure and the highly oxidative oxygen species (O22−/O−) via F− doping jointly contribute to the better OER properties of SrCoO2.85−δF0.15. Our work brings forth a promising strategy to stabilize cubic structures from hexagonal ones via a simple anion doping strategy, which may open a new avenue for the development of even more effective OER catalysts and may be applied in many other fields related to structure transformation, in addition to energy and catalysis fields.
研究领域:
能源材料科学
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催化化学
✓ 已验证
产品关联
DOI
高影响因子
ELECTROCHIMICA ACTA
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2020
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IF 6.215
Wenhui Fang,Jing Wang,Ye Hu,Xiaoqing Cui,Ruifeng Zhu,Yuhua Zhang,Chaochao Yue,Jiaqi Dang,Wei Cui,Hong Zhao,Zengxi Li
It's a major challenge to explore highly active and stable electrocatalysts for efficient hydrogen evolution reactions (HER) and oxygen evolution reactions (OER). In this work, we report a new hybrid electrocatalyst: iron-cobalt decorated nitrogen doped carbon/reduced graphene oxide-700 °C (Fe-Co-CN/rGO-700). The catalyst shows an excellent electrocatalytic performance toward HER and OER in alkaline solution, which has lower overpotentials of 0.215 V and 0.308 V at the current density 10 mA cm −2 , respectively, and this catalyst has an outstanding durability (after 45 h). The excellent activity mainly benefit from the highly dispersed iron/cobalt species, sheet structure with high porosity, the improvement of electronic structures with nitrogen-doped carbon and high conductivity of rGO. Combined with the density function theory (DFT) calculations, the improvement of the HER and OER performance were also attributed to the balance of adsorption/desorption of the hydrogen and oxygen-containing intermediates, and the increased electronic states density near the Fermi level. The proposed work provides a novel and simple strategy to synthesize a porous carbon electrocatalyst material using metal-organic frameworks (MOFs) as precursor with high activity and strong stability for HER and OER.
研究领域:
材料科学
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电催化
✓ 已验证
产品关联
DOI
高影响因子
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
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2021
·
IF 4.539
Ruge Zhao,Baoxia Ni,Luming Wu,Pingchuan Sun,Tiehong Chen
Efficient catalysts for hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) are of paramount importance for electrochemical energy applications. Herein, a high-efficient carbon-based trifunctional electrocatalyst FeCoP/C is synthesized through a simple one-step supramolecular-assisted method, in which a supramolecular gel structure is formed by phosphoric acid and melamine to allow the efficient and homogeneous incorporation of highly active species. Experimentally, the as-obtained catalysts exhibit practical trifunctional activities in the ORR, OER, and HER. In alkaline electrolytes , requiring overpotentials of 95 and 282 mV to deliver a current density of 10 mA cm −2 for HER and OER, respectively, and presents the significantly increased alkalic ORR activity, with the half-wave potential of 0.849 V. Furthermore, the FeCoP/C also showed good integrated capabilities for Zn-air batteries. This supramolecular-assisted strategy could bring new inspiration to boost the electrocatalytic performance of transition metal-based electrocatalysts for energy conversion applications.
研究领域:
材料科学
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电化学
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能源转换
✓ 已验证
产品关联
DOI
高影响因子
Nanomaterials
·
2023
·Vol. 13
·期 5
·827
·
IF 5.3
Shiming Yang,Santosh K. Tiwari,Zhiqi Zhu,Dehua Cao,Huan He,Yu Chen,Kunyapat Thummavichai,Nannan Wang,Mingjie Jiang,Yanqiu Zhu
The slow kinetics of the oxygen evolution reaction (OER) is one of the significant reasons limiting the development of electrochemical hydrolysis. Doping metallic elements and building layered structures have been considered effective strategies for improving the electrocatalytic performance of the materials. Herein, we report flower-like nanosheet arrays of Mn-doped-NiMoO4/NF (where NF is nickel foam) on nickel foam by a two-step hydrothermal method and a one-step calcination method. The doping manganese metal ion not only modulated the morphologies of the nickel nanosheet but also altered the electronic structure of the nickel center, which could be the result of superior electrocatalytic performance. The Mn-doped-NiMoO4/NF electrocatalysts obtained at the optimum reaction time and the optimum Mn doping showed excellent OER activity, requiring overpotentials of 236 mV and 309 mV to drive 10 mA cm−2(62 mV lower than the pure NiMoO4/NF) and 50 mA cm−2current densities, respectively. Furthermore, the high catalytic activity was maintained after continuous operation at a current density of 10 mA cm−2of 76 h in 1 M KOH. This work provides a new method to construct a high-efficiency, low-cost, stable transition metal electrocatalyst for OER electrocatalysts by using a heteroatom doping strategy.Keywords:OER;Mn-doped;transition metal electrocatalyst;nanosheet
研究领域:
电化学
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材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
APPLIED CATALYSIS B-ENVIRONMENTAL
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2023
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IF 22.1
Can Fang,Xiangmei Tang,Qingfeng Yi
Exploring efficient non-precious metal oxygen electrocatalysts for oxygen reduction/evolution reactions (ORR/OER) is of great importance in electrochemical energy conversion devices like metal-air battery. Among them, carbon-based composites derived from metal-organic framework (MOF) exhibit excellent catalytic performance in ORR/OER. In this paper, Co-MOF-67 was firstly prepared, and then mixed with FeCl 3 ·6 H 2 O and dicyandiamide, followed by a one-step pyrolysis to obtain bamboo-like nitrogen-doped carbon nanotubes . For the samples, Fe and Co nanoparticles were encapsulated in the front end of the carbon nanotubes and the presence of new (n)-diamond carbon was unexpectedly found. The obtained catalyst (FeCo@CNTs-60) has an onset potential of 1.04 V for ORR in alkaline solution, which is close to the commercial Pt/C (40 wt% Pt) of 1.05 V. The onset potential of 1.02 V in quasi-neutral solution exceeds that of Pt/C of 0.99 V. In addition, FeCo@CNTs-60 exhibited a low potential difference of 0.81 V between OER and ORR potentials. The alkaline zinc-air batteries, fabricated with the sample as the electrocatalyst of air electrode, exhibit higher peak power density and stability than Pt/C, while the rechargeable batteries present superior cycling discharge/charge stability at 5 mA·cm −2 and 10 mA·cm −2 . In particular, the battery with FeCo@CNTs-60 was conducted for continuous over 1300 h of ultra long-term cycle charging / discharging test at a current density of 5 mA·cm −2 , and it reveals excellent stability with high voltage efficiency and also presents superior cycle charging / discharging stability after replacing the Zn plates and electrolyte.
研究领域:
材料科学
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电化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2024
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IF 9.4
He Zhou,Dezhi Kong,Ningning Chu,Hui Wang,Jie Xu,Ye Wang,Tingting Xu
The development of sustainable energy technologies relies on the exploitation of efficient and durable electrocatalysts for water splitting at high current densities. Our work presents a novel bifunctional catalyst, denoted as NM@NC/CC, which combines the benefits of NiSe 2 -MoSe 2 heterojunctions with nitrogen-enriched porous carbon derived from metal-organic frameworks (MOFs). The integration of these components is designed to harness their combined advantages, which include enhanced electron transfer, improved mass and gas evolution dynamics, and an increased number of catalytically active sites. These features collectively optimize the energetics for both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). As a result, the catalyst facilitates rapid kinetics for the overall water-splitting process. The NM@NC/CC demonstrates low overpotentials, requiring only 91 mV for the HER and 280 mV for the OER to reach a current density of 10 mA cm −2 . Even at higher current densities of 100 mA cm −2 for HER and 50 mA cm −2 for OER, the overpotentials are only 159 mV and 350 mV, respectively. Additionally, a two-electrode setup using this catalyst achieves a current density of 10 mA cm −2 with a minimal cell voltage of 1.56 V. The insights gained from this study will contribute to the advancement of electrocatalysts for energy conversion technologies.
研究领域:
材料科学
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能源转换技术
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电催化
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Journal of the American Chemical Society
·
2025
·
IF 15.6
Ting Gao,Jie Gu,Changheng Yang,Rui Wang,Chan Wang,Pengfei Zhang,Jiatong Li,Xiaoyan Zheng,Yunmiao Fan,Puheng Yang,Xiufu Hua,Junfeng Hui,Huigang Zhang
Hydrogen is a promising clean energy carrier, yet the high energy demand of water electrolysis limits its widespread adoption. Catalysis is crucial to enhance the efficiency of hydrogen production and lower energy costs. However, conventional catalyst design guided by the d-band theory faces inconsistencies in predicting adsorption behavior, and the oxygen evolution reaction (OER) remains a major efficiency bottleneck. To address these challenges, we developed a strain-engineered Rh single-atom catalyst anchored on curved WS2 supported by carbon nanotubes (RhSA/WS2@CNT) to modulate the electronic structure. The resultant catalyst achieves an ultralow overpotential of 17.4 mV at 10 mA cm–2 for the hydrogen evolution reaction (HER) and a mass activity ∼65 times higher than that of commercial Pt/C. Mechanistic analysis reveals that the H* adsorption trend contradicts d-band theory predictions but is explained by orbital symmetry adaptation, where the strain-modulated dxz orbital plays a major role in governing adsorption energetics. Beyond catalyst design, the HER catalyst was coupled with a photocatalytic iodide oxidation reaction (IOR) to replace the OER and reduce the water-splitting voltage to 0.7 V. This study not only introduces a strain-engineering strategy to optimize single-atom catalysts but also demonstrates a coupled electro-photo system that enhances energy efficiency, offering an alternative approach for sustainable hydrogen production.
研究领域:
材料科学
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催化化学
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能源科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
·
2020
·Vol. 45
·期 5
·7120-7128
·
IF 3.741
Menglu He,Jia Jia,Qing Sun,Weixin Zhang
SUMMARY Li-O 2 battery has attracted much attention due to its ultra-high theoretical energy density in the field of electrochemical energy storage. The introduction of efficient electrocatalyst can effectively accelerate the reaction rate of ORR and OER, so as to improve the coulomb efficiency and poor cycle stability of Li-O 2 battery. In this work, a novel hollow N-doped carbon sphere is prepared by using MOF and polystyrene as template, and act as highly efficient oxygen electrocatalyst for rechargeable Li-O 2 batteries. The hollow structure can provide enough oxygen diffusion channel, deposition and decomposition space for reduction products. N doping into the hollow carbon structure can increase the charge density of adjacent carbon atoms and enhance its catalytic activity of ORR/OER. As a result, the Li-O 2 battery using the hollow N-doped carbon sphere as air cathode exhibited an high specific capacity of 18 762 mAh/g (at a current density of 500 mA/g) and remarkable cycling stability of 212 cycles (at a current density of 500 mA/g and limited capacity of 1000 mAh/g), outperforming the carbon material with common structure. This work highlights the importance of air cathode structure and efficient catalyst, provides a new idea for the design of air cathode of Li-O 2 battery, and expands the scope of future research.
研究领域:
材料科学
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电化学能源存储
✓ 已验证
产品关联
DOI
高影响因子
CARBON
·
2022
·
IF 11.307
Run Wu,Xixi Wang,Lei Ge,Zehao Zheng,Yijun Zhu,Chuan Zhou,Jinglin Yuan,Shiliang Zhu,Yuxing Gu,Wei Zhou,Zongping Shao
Zinc-air batteries (ZABs) have sparked great interest, but their wide-ranging applications are limited by sluggish cathode reactions (ORR and OER). In this work, a multifunctional 3D catalyst (FeNi alloy/porous carbon) was easily fabricated by introducing Fe 3+ and Ni 2+ to modulate in-situ vapor phase grown carbon nanotubes. The as-prepared catalyst FNSNC73-800 displays abundant mesoporous, massive structural defects , and multiple active sites, which greatly facilitate the transport of oxygen species and charge transfer during the reaction. Due to the excellent ORR and OER performance, FNSNC73-800 shows a narrow voltage gap (Δ E ) of 0.76 V, which is superior to recent reports. Notably, the secondary zinc-air battery with this catalyst displays a high-peak power density (210 mW cm −2 ), while maintaining an ultra-low potential gap (0.74 V) after a long-term charge-discharge cycle of 200 h. This effort presents a facile strategy for designing economical and efficient 3D catalysts for zinc-air batteries and more energy devices.
研究领域:
材料科学
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电化学
·
能源存储与转换
✓ 已验证
产品关联
DOI
高影响因子
Nano Energy
·
2024
·
IF 16.8
Jie Liu,Yunmei Du,Xiaoli Sun,Shuangshuang Li,Yanru Liu,Lei Wang
Developing a simple and effective strategy to optimize the structure of phosphide to stimulate its industrial-scale current density for water decomposition is a great challenge. In this work, the ‘phosphorization-quenching ammonia treatment’ strategy was innovatively proposed to prompt N-doping and the phase transition of phosphide, thereby constructing the unique N-FeNiP/NF-T electrode. As anticipated, the well-designed N-FeNiP/NF-T obtained an industrial current density of 1 A cm −2 at only 282 mV for HER and 307 mV for OER, which is 0.90-fold of Pt/C and 0.52-fold of RuO 2 , respectively. Notably, the density functional theory calculation revealed that the N dopants further optimized the reaction kinetics of the N-Ni 2 P/NiP 2 heterostructure with high OER activity and the N-NiP 2 phase with high HER activity, leading to the maximization of the synergistic effect. Overall, this work provides a novel strategy to induce phase transition to construct efficient heterostructure electrodes with optimal reaction kinetics.
研究领域:
材料科学
·
电化学
·
催化
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）