Chalcogenide nanocomposite electrodes grown by chemical etching of Ni-foam as electrocatalyst for efficient oxygen evolution reaction

We report on the synthesis of NiSSe nanocomposite by chemical etching of Ni-foam using simple solvothermal technique and investigated it as an electrocatalyst for the oxygen evolution reaction (OER). Different morphologies such as nanograins, branched mesh-like architecture, and agglomerated nanograins with nanoporous are obtained for NiSSe, NiSe, and NiS, respectively. The overpotentials of 247, 266, and 329 mV (vs RHE) are obtained to attain a current density of 30 mA cm⁻² for NiSSe, NiS, and NiSe nanocomposites, respectively. Interestingly, ternary nanocomposite reaches a high current density of 100 mA cm⁻² by operating only at an overpotential of 342 mV. The low Tafel slope of 175.7 mV dec⁻¹ reveals that the ternary nanocomposite consists of most favorable catalytic kinetics for mass and electron transport during the OER reaction. The improved catalytic performance of NiSSe nanocomposite is attributed to the synergy between electrochemcial surface area and improved electronic conductivity.     

Mesoporous nickel-sulfide/nickel/N-doped carbon as HER and OER bifunctional electrocatalyst for water electrolysis

The development of non-precious metal-based highly active bi-functional electrocatalysts for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) is critical factor for making water electrolysis a viable process for large-scale industrial applications. In this study, bi-functional water splitting electrocatalysts in the form of nickel-sulfide/nickel nanoparticles integrated into a three-dimensional N-doped porous carbon matrix, are prepared using NaCl as a porous structure-forming template. Microstructures of the catalytic materials are characterized by scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy and N₂ adsorption-desorption analysis. The most active catalyst synthesized in this study exhibits a low HER overpotential of 70 mV at 10 mA cm⁻² and a low Tafel slope of 45 mV dec⁻¹. In OER, the optimized sample performs better than a state-of-the-art RuO₂ catalyst and produces an overpotential of 337 mV at 10 mA cm⁻², lower than that of RuO₂. The newly obtained materials are also used as HER/OER electrocatalysts in a specially assembled two-electrode water splitting cell. The cell demonstrates high activity and good stability in overall water splitting.     

In situ construction of heterostructure NiSe–NiO nanoarrays with rich oxygen vacancy on MXene for efficient oxygen evolution

Developing high-efficiency, non-noble, earth-available electrocatalysts for the oxygen evolution reaction (OER) is vital for electrochemical energy conversion, but it is still challenging. Herein, we ingeniously designed a partial selenization method to construct NiSe–NiO heterostructure grown in situ on Ta₄C₃T_x MXene (denoted as NiSe–NiO/Ta₄C₃T_x MXene). NiSe–NiO/Ta₄C₃T_x MXene's plethora of heterointerfaces provides a wealth of active sites, fast charge and mass transfer, and favorable adsorption energies for OER intermediates, all of which contribute synergistically to the oxidation of alkaline water. As expected, taking advantage of the strong chemical and electron synergistic effects of NiSe and NiO, the synthesized NiSe–NiO/Ta₄C₃T_x MXene exhibits excellent activity for OER with a low overpotential of 255 mV at 10 mA cm⁻², a small Tafel slope of 47.4 mV dec⁻¹, as well as excellent long-term stability, exceeding that of its competitors. This study offers a novel synthetic route toward developing high-performance OER electrocatalysts for renewable energy conversion/storage systems and beyond by optimizing the catalysts' composition and architecture.     

Construction of nickel selenides heterointerfaces with electron redistribution for solar-driven water splitting

Developing heterostructures electrocatalysts was a promising method to improve the water splitting efficiency. However, due to the difficulty of synthesis, such low-cost and high-activity heterostructures electrocatalysts have not been developed. In this work, Ni₃Se₂/NiSe heterostructure nanosheets with rich-phase boundaries were synthesized by soaking at room temperature and annealing treatment using nickel foam as both Ni source and substrate. Such a nanosheet-like Ni₃Se₂/NiSe heterostructure could expose more active sites and efficient mass transfer at solid-liquid-gas three-phase interfaces, which exhibits a lower overpotential of 336 mV at 100 mA cm⁻² and exceptional stability over 80 h at the current density of 300 mA cm⁻² for OER in alkaline solution. Furthermore, the heterostructures electrode implements solar-driven water with a high solar-to-hydrogen efficiency of 18.3%. This heterostructure strategy might be a major breakthrough for improving the transition metal selenides and designing high-active and stable catalysts for electrochemical water oxidation.     

FeOOH/Ni heterojunction nanoarrays on carbon cloth as a robust catalyst for efficient oxygen evolution reaction

Developing catalysts based on transition metal-based materials for oxygen evolution reaction (OER), which are cheap and efficient, is one of the keys to increase the rate of electrolysis of water to produce hydrogen. Herein, we successfully synthesize iron hydr(oxy)oxide nano-arrays on carbon cloth (FeOOH@CC), and then metallic nickel is electrodeposited on its surface to fabricate FeOOH/Ni heterojunction nanoarrays. Notably, the optimal FeOOH/Ni heterojunction nanoarrays catalyst shows high electrocatalytic performance toward OER with a small overpotential of 257.8 mV at 50 mA cm⁻², a Tafel slope of 30.8 mV dec⁻¹ and outstanding long-term stability in alkaline media. The superior OER performance could be ascribed to the introducing of metallic nickel. The nickel in-situ grows on the surface of FeOOH, which not only can improve the conductivity of FeOOH, but also cooperate with FeOOH to form the FeOOH/Ni heterogeneous interfaces for further enhancing OER electrocatalytic activities. This work provides a simple and efficient strategy of interface engineering to fabricate oxyhydroxide/metal heterojunction nanoarrays as high-efficiency OER catalysts.     

Hydrothermally synthesized nickel molybdenum selenide composites as cost-effective and efficient trifunctional electrocatalysts for water splitting reactions

The development of efficient, cost-effective routes to prepare non-platinum-based electrocatalysts is a significant scientific challenge in water-splitting systems. A multifunctional electrocatalyst for the hydrogen evolution, oxygen evolution, and oxygen reduction reactions (HER/OER/ORR) involved in the water-splitting process was fabricated using a simple and eco-friendly strategy. The present study involves the simple synthesis of nanostructured nickel selenide (NiSe) via a hydrothermal method. The different phases of nickel selenide and their dependency on the precursor concentration were analyzed using X-ray diffraction (XRD). The morphologies of coral-like structured pure and Mo-doped NiSe (Ni_1-xMo_xSe) samples were investigated systematically using scanning electron microscopy (SEM). The as-prepared Ni_0.5Mo_0.5Se material showed an enhanced electrochemical activity of 1.57 V @ 10 mA/cm² for OER and 0.19 V @ 10 mA/cm² to HER, and follows the Volmer-Heyrovsky for HER mechanism. In addition, the electrocatalyst exhibits a large electrochemical surface area and high stability. Therefore, the hydrothermally synthesized Ni_1–xMo_xSe has been proven to be a perfect platinum-free trifunctional electrocatalyst for water splitting process.     

Microwave rapid hydrolysis induced two-dimensional NiFeSe nanosheets for efficient oxygen evolution reaction

The key to the development of renewable energy is to search a cheap and efficient non-precious metal based oxygen evolution reaction (OER) electrocatalyst. The NiFe-based catalyst showed excellent catalytic properties. Herein, nickel-iron selenide (m-NiFeSe) with a two-dimensional nanosheet structure was prepared by using the nickel foam as the substrate and the electrodeposition-microwave rapid hydrolysis method. The presence of microwave not only changes the microscopic morphology, forms a new catalytic interface, increases the active area, but also appears mixed valence states of nickel (Ni²⁺/Ni³⁺) and high valence states of selenium, which makes the catalyst possess excellent basic OER electrocatalytic performance. In addition, the synergistic effect between nickel metal and iron metal is also one of the reasons for the improved property. Finally, the microwave-assisted catalysts reached electric current densities of 10 and 100 mA·cm⁻² at overpotentials of 128 and 291 mV, separately, and had good durability in the chronopotentiometry test at a current density of 100 mA·cm⁻² for 18 h. The purpose of this study is to provide a simple and feasible method for the preparation of inexpensive and high-efficiency OER electrocatalysts.     

Accelerated oxygen evolution kinetics on NiFeAl-layered double hydroxide electrocatalysts with defect sites prepared by electrodeposition

NiFe layered double hydroxides (LDHs) is considered to be one of the LDHs electrocatalyst materials with the best electrocatalytic oxygen evolution properties. However, its poor conductivity and inherently poor electrocatalytic activity are considered to be the limiting factors inhibiting the electrocatalytic properties for oxygen evolution reaction (OER). The amorphous NiFeAl-LDHs electrocatalysts were prepared by electrodeposition with nickel foam as the support, and the D-NiFeAl-LDHs electrocatalyst with defect sites was then obtained by alkali etching. The mechanism of catalysts with defect sites in OER was analyzed. The ingenious defects can selectively accelerate the adsorption of OH⁻, thus enhancing the electrochemical activity. The D-NiFeAl-LDHs electrocatalyst had higher OER electrocatalytic activity than NiFe-LDHs electrocatalyst: its accelerated OER kinetics were mainly due to the introduction of iron and nickel defects in NiFeAl-LDHs nanosheets, which effectively adjusted the surface electronic structure and improved OER electrocatalytic performance. There was only a low overpotential of 262 mV with the current density of 10 mA cm⁻², and the Tafel slope was as low as 41.67 mV dec⁻¹. The OER electrocatalytic performance of D-NiFeAl-LDHs was even better than those of most of the reported NiFe-LDHs electrocatalysts.     

Electrochemically engineering defect-rich nickel-iron layered double hydroxides as a whole water splitting electrocatalyst

It is well proved that fabricating more defects on basal plane of layered double hydroxides (LDHs) is one of effective ways to boost the electrocatalytic performance for oxygen evolution reaction (OER). For the first time, the nickel iron LDHs (NiFe LDHs) with hierarchical morphology and abundant defects are simultaneously constructed by one-step electrodeposition (ED) strategy with easy operation, time-saving and green chemistry. Remarkably, the morphology is elaborately tailored by changing the species of doped anions which is unique. Also, the X-ray photoelectron spectroscopy (XPS) results elucidate that the Fe sites are in electron-rich state in LDHs which is revealed to enhance the catalytic activity strongly arising from the generation of oxygen vacancy. To deliver the current density of 10 mA cm⁻², the optimal NiFe LDHs require the overpotential of 128, 106 mV for OER and hydrogen evolution reaction (HER), and achieve 100 mA cm⁻² at the overpotential of 237, 242 mV, respectively. As a bifunctional electrocatalyst, the NiFe LDHs exhibit the current density of 10 mA cm⁻² at a cell voltage of 1.55 V and 100 mA cm⁻² at 1.76 V, which are lower than that of most of benchmarking materials reported previously.     

Nanoengineered Zn-modified Nickel Sulfide (NiS) as a bifunctional electrocatalyst for overall water splitting

Developing an efficient and inexpensive electrocatalyst is of paramount importance for realizing the green hydrogen economy through electrocatalytic water splitting. Here, we demonstrated a facile large-scale, industrially viable binder-free synthesis of Zn-doped NiS electrocatalyst on bare nickel foam (NF) through a hydrothermal technique. The present catalyst, i.e., nickel sulfide (NiS) nanosheets on nickel foam with optimized doping of Zn atom (Zn–NiS-3), displays excellent catalytic efficacy for both oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). It requires an overpotential of 320 mV for OER at a current density of 50 mA cm⁻² and an overpotential of 208 mV for HER at a current density of 10 mA cm⁻². The water electrolyser device having Zn–NiS-3 electrocatalyst as both cathode and anode show excellent performance, requiring a cell voltage of only 1.71 V to reach a current density of 10 mA cm⁻² in an alkaline media. The density functional theory (DFT) based calculations showed enhanced density of states near Fermi energy after Zn doping in NiS and attributed to the enhanced catalytic activities. Thus, the present study demonstrates that Zn–NiS-3@NF can be coined as a viable electrocatalyst for green hydrogen production.     

Vertical Nickel–Iron layered double hydroxide nanosheets grown on hills-like nickel framework for efficient water oxidation and splitting

Herein, the vertical thin nickel–iron layered double hydroxide nanosheets grown on the hills-like nickel framework (NiFe LDH/Ni@NF) are employed for the oxygen evolution reaction (OER), securing at the low overpotentials of 197 and 270 mV to obtain the current densities of 20 and 100 mA cm⁻², respectively, with a Tafel slope of 73.34 mV dec⁻¹. The electrodeposited nickel film induces the NiFe LDH nanosheets grow vertically and thinly. As well, the nickel abundant interfaces and inner space makes this catalyst effective for OER. It was further served as the OER electrode in a water splitting system coupled the Pt/C cathode, and a cell voltage was at 1.52 and 1.67 V to achieve the current density of 10 mA cm⁻² and 50 mA cm⁻². In addition, the water electrolyzer can suffer a long time of 24 h at 50 mA cm⁻², showing the feasibility in a practical unbiased alkaline water splitting system.     

One step fabrication of nanostructured nickel thin films on porous nickel foam for drastic electrocatalytic oxygen evolution

The oxygen evolution reaction (OER) is crucial for sustainable hydrogen production through competitive water electrocatalysis. In this work, nanostructured nickel (Ni) thin films deposited on porous nickel foam (NF) substrate are investigated for improved OER catalysis in alkaline medium. The time-dependent fabrication of Ni thin films is achieved via aerosol-assisted chemical vapor deposition (AACVD), which has shown promising impact on the OER performance. Particularly, the nanoscale Ni@NF electrocatalyst after 60-min of deposition showed outstanding OER properties including minimum overpotential of 285 and 423 mV to reach the current decade (10 mAcm⁻²) and even higher than 1000 mA/cm², respectively. The electrode exhibits a small Tafel slope with a value of 70 mV dec⁻¹, a higher TOF, a large electrochemically active surface area, better charge transport performance, and long-term stability over 20 h of continuous operation without significant loss. This OER catalytic activity for pristine Ni electrocatalysts is a significant milestone and is found much better than the benchmark noble metal OER catalysts as well as many other well-known 3D transition metal catalysts. The impressive OER performance is attributed to the synergic effect generated between nanostructured-Ni and porous NF substrate, which enhances the electrical conductivity of the designed catalysts. The low manufacturing cost, robustness, and durability make this catalyst viable in solar energy conversion and storage applications.     

Nickel foam-supported Fe,Ni-Polyporphyrin microparticles: Efficient bifunctional catalysts for overall water splitting in alkaline media

Developing highly active, stable and sustainable electrocatalysts for overall water splitting is of great importance to generate renewable H₂ for fuel cells. Herein, we report the synthesis of electrocatalytically active, nickel foam-supported, spherical core-shell Fe-poly(tetraphenylporphyrin)/Ni-poly(tetraphenylporphyrin) microparticles (FeTPP@NiTPP/NF). We also show that FeTPP@NiTPP/NF exhibits efficient bifunctional electrocatalytic properties toward both the oxygen evolution reaction (OER) and the hydrogen evolution reaction (HER). Electrochemical tests in KOH solution (1 M) reveal that FeTPP@NiTPP/NF electrocatalyzes the OER with 100 mA cm⁻² at an overpotential of 302 mV and the HER with 10 mA cm⁻² at an overpotential of 170 mV. Notably also, its catalytic performance for OER is better than that of RuO₂, the benchmark OER catalyst. Although its catalytic activity for HER is slightly lower than that of Pt/C (the benchmark HER electrocatalyst), it shows greater stability than the latter during the reaction. The material also exhibits electrocatalytic activity for overall water splitting reaction at a current density of 10 mA cm⁻² with a cell voltage of 1.58 V, along with a good recovery property. Additionally, the work demonstrates a new synthetic strategy to an efficient, noble metal-free-coordinated covalent organic framework (COF)-based, bifunctional electrocatalyst for water splitting.     

A high-performance oxygen evolution electrocatalyst based on partially amorphous bimetallic cobalt iron boride nanosheet

The oxygen evolution reaction (OER) plays a crucial role in various electrochemical energy conversion devices, but it greatly suffers from sluggish kinetic. Therefore, developing economical and high-active electrocatalysts with superior durability and high efficiency for OER is still a huge challenge. Herein, a partially amorphous nanosheet-liked bimetallic cobalt iron boride is directly grown on the nickel foam (CoFeB-5-30 NS/NF) via a facile electroless plating method and adopted as a catalyst for OER. Benefiting from the rational designed nanosheet array which provides large surface areas and more open-pathways to obtain fast electron transportation and gas release, the resulted CoFeB-5-30 NS/NF catalyst exhibits excellent catalytic activity and superior electrochemical stability in alkaline medium. The obtained CoFeB-5-30 NS/NF exhibits an overpotential of 260 mV to reach the current density of 20 mA cm⁻². Most importantly, the CoFeB-5-30 NS/NF possesses a small Tafel slope of 38 mV dec⁻¹ and excellent stability with insignificant activity degradation after successive electrolytic measurement (for over 60 h) at 20, 50 and 100 mA cm⁻² in 1.0 M KOH, respectively. This work provides a simple and rapid strategy to prepare bimetallic borides and broadens the way for the development of efficient OER catalysts.     

FeOOH–CoS composite catalyst with high catalytic performances for oxygen evolution reaction at high current density

Water electrolysis is an efficient approach for high-purity hydrogen production. However, the anodic sluggish oxygen evolution reaction (OER) always needs high overpotential and thus brings about superfluous electricity cost of water electrolysis. Therefore, exploiting highly efficient OER electrocatalysts with small overpotential especially at high current density will undoubtedly boost the development of industrial water electrolysis. Herein, we used a simple hydrothermal method to prepare a novel FeOOH–CoS nanocomposite on nickel foam (NF). The as-prepared FeOOH–CoS/NF catalyst displays an excellent OER performance with extremely low overpotentials of 306 and 329 mV at 500 and 1000 mA cm⁻² in 1.0 M KOH, respectively. In addition, the FeOOH–CoS/NF catalyst can maintain excellent catalytic stability for more than 50 h, and the OER catalytic activity shows almost no attenuation no matter after 1000 repeated CV cycles or 50 h of stability test. The high catalytic activity and stability have exceeded most non-noble metal electrocatalysts reported in literature, which makes the FeOOH–CoS/NF composite catalyst have promising applications in the industrial water electrolysis.     

Novel 13X Zeolite/PANI electrocatalyst for hydrogen and oxygen evolution reaction

In this work, first 13X zeolite was prepared by the hydrothermal method. Then, the composite electrode was fabricated by using 13X zeolite and aniline monomer in nickel foam by electropolymerization technique in an acidic medium (13X/PANI). The synthesized 13X zeolite was characterized by physicochemical characterization techniques such as Fourier transform infra-red (FT-IR) spectroscopy, X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HR-TEM), X-ray diffraction (XRD) pattern and nitrogen sorption isotherm. 13X/PANI composite was further analyzed by XRD, XPS and FE-SEM techniques. Furthermore, the catalyst activity of the synthesized 13X, PANI and 13X/PANI composite electrodes was evaluated in hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by using linear square voltammetry (LSV) and Tafel slope method. The Tafel slopes of HER were found to be 203 mV dec⁻¹, 440 mV dec⁻¹ and 282 mV dec⁻¹ for 13X, PANI and 13X/PANI-15 electrodes respectively. While the OER Tafel slopes were found to be 423 mV dec⁻¹, 310 mV dec⁻¹ and 168 mV dec⁻¹ for 13X, PANI and 13X/PANI-15, respectively. 13X/PANI-15 electrodes show excellent catalytic performance about the overpotential at 10 mA cm⁻² for HER and the overpotential at 20 mA cm⁻² for OER. The obtained results suggest fabricated novel electrodes are a potential candidate for HER and OER reaction and can be open new avenue for other electrochemical reactions.     

The 3D ultra-thin Cu1-xNixS/NF nanosheet as a highly efficient and stable electrocatalyst for overall water splitting

In recent years, the exploration of efficient and stable noble-metal-free electrocatalysts is becoming increasingly important, used mainly for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). In this work, a new ultrathin porous Cu_1-xNi_xS/NF nanosheets array was constructed on the 3D nickel skeleton by two-step method: hydrothermal method and vulcanization method. Through these two processes, Cu_1-xNi_xS/NF has a larger specific surface area than that of foamed nickel (NF) and Cu_1-xNi_xO/NF. The Cu_1-xNi_xS/NF materials show excellent catalytic activity by accelerating the electron transfer rate and increase the amount of H₂ and O₂ produced. The lower overpotential was obtained only 350 mV at 20 mA cm⁻² for OER, not only that, but also the same phenomenon is pointed out in HER, optimal Cu_1-xNi_xS/NF presents low overpotentials of 189 mV to reach a current density of 10 mA cm⁻² in 1.0 M KOH for HER. Both OER and HER shows a lower Tafel slope: 51.2 mV dec⁻¹ and 127.2 mV dec⁻¹, subsequently, the overall water splitting activity of Cu_1-xNi_xS/NF was investigated, and the low cell voltage was 1.64 V (current density 10 mA cm⁻²). It can be stable for 14 h during the overall water splitting reaction. These results fully demonstrate that Cu_1-xNi_xS/NF non-precious metal materials can be invoked become one of the effective catalysts for overall water splitting, providing a richer resource for energy storage.     

MoS2/NiFeS2 heterostructure as a highly efficient electrocatalyst for overall water splitting at high current densities

Searching for efficient, stable and low-cost nonprecious catalysts for oxygen and hydrogen evolution reactions (OER and HER) is highly desired in overall water splitting (OWS). Herein, presented is a nickel foam (NF)-supported MoS₂/NiFeS₂ heterostructure, as an efficient electrocatalyst for OER, HER and OWS. The MoS₂/NiFeS₂/NF catalyst achieves a 500 mA cm⁻² current density at a small overpotential of 303 mV for OER, and 228 mV for HER. Assembled as an electrolyzer for OWS, such a MoS₂/NiFeS₂/NF heterostructure catalyst shows a quite low cell voltage (≈1.79 V) at 500 mA cm⁻², which is among the best values of current non-noble metal electrocatalysts. Even at the extremely large current density of 1000 mA cm⁻², the MoS₂/NiFeS₂/NF catalyst presents low overpotentials of 314 and 253 mV for OER and HER, respectively. Furthermore, MoS₂/NiFeS₂/NF shows a ceaseless durability over 25 h with almost no change in the cell voltage. The superior catalytic activity and stability at large current densities (>500 mA cm⁻²) far exceed the benchmark RuO₂ and Pt/C catalysts. This work sheds a new light on the development of highly active and stable nonprecious electrocatalysts for industrial water electrolysis.     

One-pot preparation of Ni3S2@3-D graphene free-standing electrode by simple Q-CVD method for efficient oxygen evolution reaction

Efficient non-noble metal catalysts for the oxygen evolution reaction (OER) are particularly important in the practical applications of electrocatalytic water splitting (ECWS). Herein, based on a simple quasi chemical vapor deposition (Q-CVD) method, we fabricate a newly Ni₃S₂@3-D graphene free-standing electrode for efficient OER applications. The Ni₃S₂@3-D graphene integrates the advantageous features of 3-D graphene and Ni₃S₂ towards OER, such as more interfacial catalytic sites, pore-rich structure, N-doped structure and good electrical conductivity. Benefiting from the favorable features, the Ni₃S₂@3-D graphene (especially 900 °C sample) exhibits excellent OER performances in alkaline medium, which includes a low on-set potential (1.53 V), low overpotential of 305 mV at a current density of 10 mA cm⁻², and a smaller Tafel slope (50 mV dec⁻¹). This catalyst also shows ultrahigh stability after chronoamperometry response at 10 mA cm⁻² for 48 h with 30% increase in the current density. The present work opens a new approach for the one-pot construction of hybrid materials between metal sulfide and graphene to increase the electrocatalytic activity of non-noble metal OER catalysts.     

High-throughput chainmail catalyst FeCo@C nanoparticle for oxygen evolution reaction

Oxygen evolution reaction (OER) is a key part of water electrolysis for hydrogen production. Non-noble-metal catalysts with high activity, stability, but low cost are prerequisites for practical application. In this work, sucrose char was synthesized and then chainmail catalysts were produced by in situ growth method, defined as M@C (M = Fe, Co and FeCo). FeCo@C showed great OER performance in both catalytic activity and durability tests. The overpotentials were 302 mV (at the current density of 10 mA cm⁻²) and 423 mV (at 50 mA cm⁻²), with a lowest Tafel slope of 75 mV dec⁻¹. The electrochemical surface area of catalysts were also analyzed by calculating the capacitance of the double layer to further investigate the catalytic activity. Furthermore, FeCo@C showed superior stability after 30 h test or 10,000 cycles of cyclic voltammetry. Theoretical calculation based on density functional theory (DFT) demonstrated that the overpotential of OER was determined by the Gibbs free energies of reaction intermediates HO1, O1 and HOO1. The adsorption of HO1 radicals onto the FeCo@C was weaker than Fe@C, which was favorable for reducing the overpotential, as the rate-determining step of the OER process over these catalysts was that HO1 dehydrogenated to form O1.