Cathode Material For Batteries Research Articles

Diammonium Hydrogen Citrate-Assisted Spray Pyrolysis Synthesis of Nanostructured LiCoPO4 Microspheres as High-Voltage Cathode Material for Lithium-Ion Batteries.

Nanostructured LiCoPO4 (LCP) microspheres were successfully synthesized by one-step spray pyrolysis, adding an appropriate amount of diammonium hydrogen citrate (DHC) additive to the precursor solution. Comprehensive physical characterization confirmed that the obtained LCPs exhibited a desirable orthorhombic olivine structure with nanostructured morphology and a significant increase in specific surface area. This enhancement was attributed to the dispersion effect due to the carboxyl group and the evolution of the ammonium group of DHC during the pyrolysis process. The resultant LCP delivered a high initial discharge capacity of 132 mA h g-1 with 63.3% capacity retention (vs 103 mA h g-1 and 37.1% of bare-LCP) after 50 cycles at 0.1 C using the conventional electrolyte. Moreover, the electrochemical performance showed additional enhancement when a fluorinated electrolyte was introduced, resulting in initial and 50th discharge capacities of 141 and about 100 mA h g-1, respectively, at 0.1 C.

Effect of Synthesis Temperature on Performance of Phenazine-based Cathode forSodium Dual-ion Batteries.

Organic materials have attracted much attention in the field of electrochemical energy storage due to their ecological sustainability, abundant resources and structural designability.However, low electrical conductivity and severe agglomeration of organic materialslead to poor discharge capacity and reaction kineticsin batteries. Herein, the morphologyofthe phenazine-based organic polymer poly(5,10-diphenylphenazine) (PDPPZ) was modified by varying the synthesis temperature.PDPPZ-165°Cwith an exceptional porous structureprovides abundant reaction channels for rapid charge transfer and diffusion that improves the reaction kinetics in sodium dual-ion batteries.Therefore, PDPPZ-165 °C cathode possesses excellent rapidcharge-discharge capabilitydelivering a specific capacity of 119.2 mAh g-1at 40 C.Furthermore, a high specific capacity of 124.7 mAh g-1can be provided even at a high loading of 16 mg cm-2at 0.5 C with a capacity retention of 86.4%after 500 cycles. This work could affordnew insights for optimizing the performance of organic cathode materials in sodium dual-ion batteries.

Research on Fe doping regulation of vanadium-based phosphate material K3V3-xFex(PO4)4/C for potassium-ion battery cathodes

K3V3(PO4)4(KVP), a novel cathode material for potassium-ion batteries (KIBs), is recognized for its stable crystal structure and robust cycling performance. Despite these attributes, it is hampered by poor electronic conductivity and limited rate capability. In this research, Fe3+ has been substituted for a portion of V3+ to modulate the electronic structure of K3V3-xFex(PO4)4/C, aimed at enhancing its electrochemical performance. Theoretical calculations expectedly show that Fe doping at the V site reduces the band gap energy from 2.674 eV to 1.92 eV, thereby improving electron transfer. Both physical and chemical analyses confirm the successful integration of Fe3+ into the crystal structure and the adjustment of relevant lattice parameters. Additionally, Fe serves as an effective catalyst, enhancing the graphitization of the carbon coating. SEM demonstrates that Fe3+ doping encourages the development of a porous structure, which not only promotes electrolyte penetration but also provides a buffer to the crystal framework during K+ deintercalation. K3V3-xFex(PO4)4/C, when doped with Fe3+, shows superior discharge capacity and long-term cycling stability compared to KVP/C. Specifically, K3V2.8Fe0.2(PO4)4/C, with an Fe3+ doping level of x=0.2, exhibits minimal electrode polarization and outstanding rate performance. After 380 cycles at 400 mA·g−1, it maintains a discharge capacity of 46 mAh·g−1, significantly surpassing KVP/C. These findings offer valuable insights into the commercial synthesis of scalable, high-performance rechargeable KIBs cathode materials.

The effect of heating rate on microstructure and electrochemical performance of nickel-rich layered oxides cathode materials

Nickel-rich layered oxides have attracted significant attention as promising cathode materials for lithium-ion batteries due to their high specific capacity, rate capability, and relatively low cost. However, the material still faces challenges such as harsh synthesis conditions, easy cation mixing and large residual alkali on the surface, severely limiting its practical applications. To overcome these drawbacks, this study successfully synthesized a series of LiNi0.8Co0.1Mn0.1O2 (NCM) cathode materials with different heating rates. The results indicate that appropriately reducing the heating rate can improve the cycling performance of the material and reduce cation mixing and surface residual alkalinity. Specifically, among the four samples, the LiNi0.8Co0.1Mn0.1O2 sample (NCM-2 °C min-1) exhibites a lower Li⁺/Ni²⁺ mixed arrangement and fewer surface residual alkalis, demonstrating good cycling performance and rate capability. The NCM-2 °C min-1 sample provides an excellent initial discharge capacity of 210.4 mAh g⁻¹ under 0.1 C conditions, and it achieves the highest capacity retention rate (85.9%) after 100 cycles at 1 C, while the capacity retention rates for NCM-1 °C min-1, NCM-3 °C min-1, and NCM-4 °C min-1 are 75.4%, 75.2%, and 71.2%, respectively. NCM-2 °C min-1 sample also showed excellent rate performance, especially at high rates. The discharge capacity remains at 151.6 mAh g-1 at 10 C, which is much higher than that of other samples (149.3 mAh g-1 for NCM-1 °C min-1, 123.5 mAh g-1 for NCM-3 °C min-1, and 120.6 mAh g-1 for NCM-4 °C min-1). The research of synthesis technology has important guiding significance for the synthesis of high-stability high-nickel layered oxide materials.

A novel process for recovering LNCM battery cathode material using cryolite-based electrolyte through selective dissolution - Acid leaching - Coprecipitation

Around the world the number of scrapped lithium-ion batteries (LIBs), which are rich in valuable elements worthy of recycling, is increasing. In this study, a method using cryolite-based electrolyte to recycle cathode materials from spent lithium nickel-cobalt-manganese oxide (LNCM) batteries is proposed. Firstly, a molten cryolite-based electrolyte is used to decompose the microstructure of spent LIB cathode material, releasing valuable lithium element into the electrolyte, which can be used in aluminum electrolysis industry. As nickel-cobalt-manganese oxides have low solubilities in the cryolite-based electrolyte, they sink to the bottom of the molten electrolyte, which is then cooled down, forming an upper and lower layer. Lithium element can be quickly and conveniently separated from nickel-cobalt-manganese oxides, which are enriched in the lower layer of the electrolyte. Then, a hydrochloric acid solution is used to leach nickel-cobalt-manganese components from the lower layer of the cryolite-based electrolyte. The effects of acid concentration, liquid-solid ratio, and temperature on the leaching process are investigated through single factor experiments. The highest leaching rates of nickel, cobalt, and manganese elements reach 99.47%, 98.94%, and 98.27%, respectively. By using NaOH + NH3·H2O to adjust the pH of the leaching solution, coprecipitation of nickel, cobalt, and manganese elements occur, producing a hydroxide precursor and resulting in recovery rates of over 99%. The recycled hydroxide precursor and new lithium source are then roasted to regenerate an LNCM811 cathode material, which has a layered microstructure and is assembled into a battery. Test results show that the battery has a discharge capacity of 200.8 mAh·g−1 initially and 170.4 mAh·g−1 after 100 cycles.

Prussian White/Reduced Graphene Oxide Composite as Cathode Material to Enhance the Electrochemical Performance of Sodium-Ion Battery.

Prussian white (PW) is considered a promising cathode material for sodium-ion batteries. However, challenges, such as lattice defects and poor conductivity limit its application. Herein, the composite materials of manganese-iron based Prussian white and reduced graphene oxide (PW/rGO) were synthesized via a one-step in situ synthesis method with sodium citrate, which was employed both as a chelating agent to control the reaction rate during the coprecipitation process of PW synthesis and as a reducing agent for GO. The low precipitation speed helps minimize lattice defects, while rGO enhances electrical conductivity. Furthermore, the one-step in situ synthesis method is simpler and more efficient than the traditional synthesis method. Compared with pure PW, the PW/rGO composites exhibit significantly improved electrochemical properties. Cycling performance tests indicated that the PW/rGO-10 sample exhibited the highest initial discharge capacity and the best cyclic stability. The PW/rGO-10 has an initial discharge capacity of 128 mAh g-1 at 0.1 C (1 C = 170 mA g-1), and retains 49.53% capacity retention after 100 cycles, while the PW only delivers 112 mAh g-1 with a capacity retention of 17.79% after 100 cycles. Moreover, PW/rGO-10 also shows better rate performance and higher sodium ion diffusion coefficient (DNa+) than the PW sample. Therefore, the incorporation of rGO not only enhances the electrical conductivity but also promotes the rapid diffusion of sodium ions, effectively improving the electrochemical performance of the composite as a cathode material for sodium-ion batteries.

Layered Oxide Cathode Materials for Sodium-Ion Batteries: A Mini-Review

Layered Oxide Cathode Materials for Sodium-Ion Batteries: A Mini-Review

Lithium-rich manganese-based layered oxide cathode materials for lithium-ion batteries modified by MoS2 coatings with two-dimensional graphene-like structures

Lithium-rich manganese-based layered oxide cathode materials (LRMCs) have some unique advantages such as high theoretical capacity (≥ 250 mAh g−1) and high energy density. Therefore, they are deemed as a kind of cathode material for lithium-ion batteries with an excellent prospect of application. However, the redox of oxygen anion is able to generate irreversible lattice oxygen loss, leading to irreversible loss of capacity, bringing about a sharp drop of working voltage, and seriously restricting the commercialization of LRMCs. In this paper, MoS2 coating with two-dimensional graphene-like structure was coated on the surface of LRMCs materials for improving the cycling stability and rate performance. The MoS2 coating can provide a two-dimensional diffusion channel for the migration of lithium-ions, which facilitates the fast release of lithium-ions during cycling process. The results show that the first discharge capacity, initial Coulomb efficiency and rate performance of LRMCs are improved. When the current density is 1 C, the first discharge specific capacity of LRMCs@MoS2 reaches 227.69 mAh g−1, and the capacity retention ratio is 84.98 % after 100 cycles. When the current density is 5 C, it can still provide a discharge specific capacity of 137.87 mAh g−1, demonstrating excellent electrochemical performance. This study comes up a simple and practical idea to realize the modification of cathode materials for high performance lithium-ion batteries.

Fast and scalable preparation of metal–organic coordination polymeric precursor for bifunctional electrocatalysts for high performance lithium–oxygen batteries

The Metal-organic coordination polymers (MOCPs) with structural and functional diversity are considered effective cathode materials for Lithium-oxygen batteries (LOBs). Conventional synthesis methods make it difficult to obtain large quantities of materials. Here, A highly active low-cost Co-decorated N-doped carbon oxygen cathode catalyst (Co–N–C) was synthesized using a fast and scalable method based on positive and negative charge coordination. Rapid synthesis of MOCPs depends on the addition of base sites. A theory of “Lewis’s base-assisted rapid synthesis” was proposed. Co-N-C as LOBs air cathode showed 150 cycles with 1000 mAh g-1 at 500 mA g-1. The fast and scalable synthesis method can provide a feasible strategy for large-scale production of oxygen electrocatalysts for LOBs.

Conducting LixPOy Interface Generated From Insulating Residual Lithium Compounds on LiNi0.8Mn0.1Co0.1O2 Surface Improves Cycle Life and Assists in Fast Cycling.

LiNi0.8Mn0.1Co0.1O2 (NMC811) is the most promising cathode material for future Li-ion batteries (LIBs). However, the bulk and surface structural instabilities retard its commercial success. Surface chemical instability toward exposure to moisture (H2O and CO2) leads to the formation of residual lithium compounds (RLCs: Li2CO3, LiOH) on the surface. The alkaline RLCs form a resistive layer on the surface of NMC811 by undergoing parasitic side reactions with electrolytes. Herein, an "Adverse-to-Beneficial" approach is proposed to eliminate RLCs by chemically transforming them into a LixPOy (Li3PO4 and LiPO3) interface. The interface protects the NMC811 surface from moisture attack and unwanted side reactions with electrolytes. It enhances the cycle life by retaining 70% of the initial capacity after 300 cycles at a 0.5C rate and 60% after 500 cycles, even at a 5C rate in a voltage window of 3.0-4.3V versus Li+/Li. The coexistence of two Li-conducting phases lowers the voltage polarization of the kinetically sluggish H1 → M phase transition to unlock fast cycling, reduces cationic disorder, improves coulombic efficiency, enhances ion diffusion kinetics, and minimizes particle crack formation after long-term cycling. Hence, the LixPOy interface yields multifaceted benefits in the storage, processing, and electrochemistry of NMC811.

Mg/Ti co-substituted P2-Na0.67Ni0.23Mg0.05Ti0.05Mn0.67O2 cathode with outstanding performance for Na-ion batteries

P2-type layer oxides are one class of cathode materials for Na-ion batteries (SIBs) with the advantages of good rate and cycle performance, but suffer from poor storage stability and relative low capacity, hindering their practical applications. In this study, the Mg/Ti co-substituted P2-type layered oxide Na0.67Ni0.23Mg0.05Ti0.05Mn0.67O2 (NMgTiM) was synthesized via sol–gel method. The initial capacity of NMgTiM reached to 162.2mAh g−1, which is more than twice that of pristine oxides Na0.67Ni0.33Mn0.67O2 (NM), showing an excellent synergistic effect. Long-cycle testing showed that the NMgTiM delivered a high and stable capacity of 165 ∼ 180mAh g−1 at 0.5C before 80 cycles, and remained at 132.6mAh g−1 with a capacity retention of 81.6 % at 100th cycle. The crystal structure of pristine and Mg/Ti substitution samples was confirmed by XRD analysis.

Cluster intercalation of aluminum tetrachloride in AlN cathode: Exploration and analysis of aluminum ion batteries.

When chloroaluminate (AlCl4-) serves as the electrolyte, aluminum nitride (AlN) has shown promise as a cathode material in aluminum ion batteries. However, there is currently a lack of research on the mechanisms of charge transfer and cluster intercalation between AlCl4 and AlN cathode materials. Herein, first-principles calculations are employed to investigate the intercalation mechanism of AlCl4 within the AlN cathode. By calculating the formation energies of stage-1-5 AlN-AlCl4 intercalation compounds with the insertion of individual AlCl4 cluster, we found that the structure of the stage-4 intercalation compounds exhibits the highest stability, suggesting that when the clusters begin to intercalate, it is important to start with the formation of the stage-4 intercalation compounds. In the subsequent phases of the charging process (stages 1 and 2), the stabilized structure with four inserted clusters demonstrates two characteristics: the coexistence of standing and lying clusters and the insertion of two standing clusters in an upside-down doubly stacked configuration, which further improve the spatial utilization while maintaining the structural stability. In addition, we infer that a phenomenon of coexisting intercalation compounds with mixed stages will occur in the course of the charging and discharging processes. More importantly, the diffusion barrier of AlCl4 in AlN-AlCl4 intercalation compounds decreases with the reduction of stage number, ensuring the rate performance of batteries. Therefore, we expect that our work will contribute to comprehend the intercalation mechanism of AlCl4 into the AlN cathode materials of aluminum ion batteries, providing guidance for related experimental work.

Surface Reconstruction Enhanced Li-Rich Cathode Materials for Durable Lithium-Ion Batteries.

Regulating the distribution of surface elements in lithium-rich cathode materials can effectively change the electrochemical performance of cathode materials. Considering that the enrichment of Mn element on the surface is the main reason for the irreversible phase transition and dissolution of its surface structure, which in turn is the main reason for performance degradation. Based on the molten salt-assisted sintering method, a lithium rich cathode material with surface rich Ni and Co is designed and prepared. The surface enrichment of Ni and Co effectively reduces the dissolution of Mn, promotes the occurrence of irreversible collapse of surface structure from layered phase to rock salt phase on the material surface, improves the stability of surface crystal phase structure, and improves the cycling stability of positive electrode materials. Notably, after 500 cycles at 1 C current density, the discharge-specific capacity attained 189.8 mAh g -1, with a capacity retention rate of 88.9%, indicating a 42.1% improvement in capacity retention. Molten salt treatment is widely used in the modification of positive electrode materials. The research work will provide new ideas for improving the stability of lithium rich materials and promoting their commercial applications.

Heterostructure VO2@VS2 tailored by one-step hydrothermal synthesis for stable and highly efficient Zn-ion storage

Abstract The increasing demand for advanced energy storage solutions has driven extensive research into Zn-ion batteries due to their safety, cost-effectiveness, and environmental compatibility. This study presents a synthesis and evaluation of VO2@VS2 hollow nanospheres as a novel cathode material for Zn-ion batteries. The VO2@VS2 composite, synthesized via a one-step hydrothermal method, demonstrates a significant improvement in electrochemical performance. The material exhibits a reversible capacity of 468 mAh g−1 at 0.1 A g−1 and maintains a high capacity of 237 mAh g−1 at 1.0 A g−1 over 1000 cycles with a retention rate of 85%. Electrochemical analyses reveal enhanced charge transfer and Zn-ion storage, attributed to the synergistic effect and built-in electric field of the VO2 and VS2 heterostructure. Additionally, the composite shows superior electrochemical kinetics, facilitating rapid ion transport and charge transfer. In-situ Raman analysis confirms the reversible Zn-ion storage mechanism, further validating the composite’s structural stability during cycling. Density functional theory calculations further support these findings, indicating the composite’s potential for high-rate capability and long-term cycling stability. This research highlights the promise of VO2@VS2 hollow nanospheres in advancing the performance of aqueous Zn-ion batteries.

Charge Carrier Dynamics in Bandgap Modulated Covellite-CuS Nanostructures.

Copper Sulfide (CuS) semiconductors have garnered interest, but the effect of transition metal doping on charge carrier kinetics and bandgap remains unclear. In this study, the interactions between dopant atoms (Nickel, Cobalt, and Manganese) and the CuS lattice using spectroscopy and electrochemical analysis are explored. The findings show that sp-d exchange interactions between band electrons and the dopant ions, which replace Cu2+, are key to altering the material's properties. Specifically, these interactions result in a reduced bandgap by shifting the conduction and valence band edges and increasing carrier concentration. It is observed that undoped CuS nanoflowers exhibit a carrier lifetime of 2.16 ns, whereas Mn-doped CuS shows an extended lifetime of 2.62 ns. This increase is attributed to longer carrier scattering times (84 ± 5 fs for Mn-CuS compared to 53 ± 14 fs for CuS) and slower trapping (∼1.5 ps) with prolonged de-trapping (∼100 ps) rates. These dopant-induced energy levels enhance mobility and carrier lifetime by reducing recombination rates. This study highlights the potential of doped CuS as cathode materials for sodium-ion batteries and emphasizes the applicability of metal sulfides in energy solutions.

Free-Standing Poly(vinyl benzoquinone)/Reduced Graphene Oxide Composite Films as a Cathode for Lithium-Ion Batteries.

Quinones with a rapid reduction-oxidation rate are promising high-capacity cathodes for lithium-ion batteries. However, the high solubility of quinone molecules in polar organic electrolytes results in low cycle stability, while their low electric conductivity causes low utilization of electrode materials. In this article, a new p-benzoquinone derivative, poly(vinyl benzoquinone) (PVBQ), is designed and synthesized, and a solution-based method of preparing free-standing PVBQ/reduced graphene oxide (RGO) composite films is developed. PVBQ has a high theoretical specific capacity (400 mA h g-1) because of its low dead moiety mass. In the produced composite films, PVBQ nanoparticles are uniformly dispersed on RGO sheets, which endows the composite films with high electric conductivity and inhibits the dissolution of PVBQ through strong adsorption. As a result, the composite films show a high active material utilization, high practical specific capacity, and excellent cycling stability. PVBQ in the composite membrane containing 60.2 wt % RGO deliver 244 mA h g-1 capacity after 200 charge-discharge cycles at a current density of 300 mA g-1. At a current density of 1500 mA g-1, the reversible specific capacity is still 170 mA h g-1. This work provides a high-performance cathode material for lithium-ion batteries, and the molecular structure and electrode structure design ideas are also instructive for developing other organic electrode materials.

Simultaneous Tailoring of Chemical Composition and Morphology Configuration in Metal Hexacyanoferrate for Ultrafast and Durable Sodium-ion Storage.

Metal hexacyanoferrates (MHCFs) with adjustable composition and open framework structures have been considered as intriguing cathode materials for sodium-ion batteries (SIBs). Exploiting MHCFs with ultrafast and durable sodium storage capability as well as comparable capacity is always a goal that many investigators pursue, but remains challenging. Herein, simultaneous tailoring of chemical composition and morphology configuration is carried out to design a hollow monoclinic high-entropy MHCF (HMHE-HCF) assembled by nanocubes for the first time to realize the objective. The "cocktail effect" of high-entropy construction, rich sodium content of monoclinic phase, and unique hollow structure endow HMHE-HCF cathode with fast reaction kinetics and energetically stable performance during continuous charging/discharging processes. As a result, the HMHE-HCF cathode demonstrates superior rate performance up to an ultra-high rate of 100 C (71.1% retention to 0.1 C), and remarkable cycling stability with a capacity retention of 77.8% over 25,000 cycles at 100 C, outperforming most reported sodium-ion cathodes. Further, the HMHE-HCF//hard carbon full-cell delivers capacities of 99.0 and 82.3 mAh g-1 at 0.1 C and 10 C, respectively, and retains 98.1% of the initial capacity after 1,600 cycles at 5C, demonstrating its potential application for sodium-ion storage.

An ultrafast, stable and highly reversible nickel magnesium vanadate cathode for magnesium ion batteries

Rechargeable magnesium batteries are one among the strongest candidates over lithium ion batteries with abundance, cost effective and less environmental hazard. However, limitations including slow Mg2+ ion kinetics in the electrode-electrolyte interface and formation of passivating layers on the surface of magnesium metal anode affecting the rechargeable behavior of a cathode. Herein, hydrothermally synthesized NiMg2(VO4)2 nanomaterial used as cathode. The oxidation and reduction properties of Mg and V facilitates the diffusion pathway for Mg2+ and Li+ ions. Additionally, the employment of activated carbon cloth as anode diminishes the strong ionic interactions between Mg2+ ions and crystal lattice, enabling the faster diffusion of Mg2+ ions. All the electrochemical investigations are carried out at room temperature in the potential window of 1.23 V to 3.83 V against Mg/Mg2+. At a lower current density of 100 mA g−1, the specific discharge capacity have been 220 mAh g−1 for the 2nd cycle and retention of 97.1 % over 25 cycles. The specific capacity increases with more Mg2+ involvement in the reaction. At the highest current rate of 5000 mA g−1 the capacity retention is 96.8 % after 1000 cycles. Calculated energy density for a low current density is 556 Wh kg−1. The presence of multivalent V ions in the cathode reduces volume expansion, assisting charge redistribution to maintain electroneutrality. The dynamic valence property of. Vanadium ions (V2+/V5+) assist the intercalation of Mg2+ ions into the crystal lattice of cathode and possibly contribute to the highly stable and reversible discharge capacity over cycles. These findings provide a new perspective on NiMg2(VO4)2 as cathode material for magnesium ion batteries.

Copper and nickel hexacyanoferrates/carbon nanotube nanocomposites thin films as high-performance light cathode materials for aqueous sodium-ion batteries

Aqueous rechargeable Na-ion batteries are gaining popularity as an attractive alternative for energy storage systems due to their low cost, wide range of raw material sources, non-flammability, and ultrahigh ionic conductivity. Currently, Because of their three-dimensional open structure, high specific capacity, and inexpensive cost, Prussian blue analogues are being investigated as electrode materials for electrochemistry. In this work, we present an innovative strategy to create novel two-component nanoarchitected thin films that exhibit exceptional performance as cathodes in aqueous sodium-ion batteries (SIBs). By leveraging the versatility of the liquid-liquid interfacial method, we have prepared two distinct transparent nanocomposite films composed of carbon nanotubes and either copper or nickel hexacyanoferrate nanoparticles. The results show that the NiHCF/CNT and CuHCF/CNT deliver a high specific capacity of 152 mA h g−1 and 135 mA h g−1, respectively, at a high current density of 1 A g−1. Moreover, the cells (rGO//NiHCF and rGO//CuHCF) show that the energy density of the battery can reach up to 7.75 Wh kg−1 at a power density of 27.92 W kg−1 for rGO//NiHCF/CNT, while rGO//CuHCF/CNT showed an energy density of 3.67 Wh kg−1 at a power density of 13.21 W kg−1. The results demonstrate that NiHCF/CNT and CuHCF/CNT nanocomposite films provide new insight into the design of high-performance PBA cathodes.

In situ-grown nitrogen-sulfur co-doped carbon nanotubes encapsulated with FeS particles as cathode materials for zinc-air batteries

Transition metal sulfides as ideal oxygen reduction reaction (ORR) catalysts have great potential to regulate multiple reaction pathways and understand their corresponding internal reaction mechanisms at cathode in zinc-air batteries (ZABS), effectively. This work adopted a facile one-pot synthesis method based on chemical vapor deposition (CVD), which utilizes the synergistic effect of zeolite imidazolium ester skeleton (ZIF-8) and polypyrrole (PPY) to grow nitrogen-sulfur co-doped carbon nanotubes (NS-CNT) in the shape of colonic with a relatively uniform size and encapsulated with FeS nanoparticles as the main active sites. The synthesized purpose catalyst noted as FeS-NS-CNT-900, in which that the FeS nanoparticles were tightly encapsulated in carbon nanotubes, and this special structure ensures that the FeS particles do not detach during the reaction, thus greatly enhancing their electrochemical activity and stability. As expected, the FeS-NS-CNT-900 catalyst exhibited a half-wave potential of 0.877 V which is higher than that of commercial platinum charcoal (0.847 V), at 0.1 mol KOH. More importantly, the formation of abundant FeS catalytic active sites, the optimal conditions for NS-CNT growth, and the covered mechanisms of the enhanced ORR reaction activity of FeS-NS-CNT-900 were thoroughly investigated. Additionally, whileFeS-NS-CNT-900 was used as an air cathode material for the assembly of a zinc-air battery, it exhibited a peak power density and specific capacity of 123 mW cm−2 and 785.81 mA h g−1, respectively, which were significantly better than that of platinum-carbon cathode (92.8 mW cm−2 and 740.4 mA h g−1). And surprisingly, the battery with FeS-NS-CNT-900 cathode exhibited (delivered/showed) a high cycle stability of 260 h at 5 mA cm−2. Conclusively, present work provides a feasible method for in situ growth of sulfur and nitrogen co-doped carbon nanotube encapsulated transition metal sulfide nanoparticle catalysts, which may pave a new avenue for the preparation of high ORR performance air cathode material for ZABS.