Anode Material For High-performance Sodium-ion Batteries Research Articles

Surface-dominated sodium storage enabled by TiO2 nanosheets with 84 % exposure of (0 0 1) facets for high-performance Na-ion battery anodes

Anatase titanium dioxide (TiO2) has garnered enormous attention as a promising anode material for sodium-ion batteries (SIBs), owing to its non-toxicity, superior structural stability, and cost-effectiveness. Nevertheless, its intrinsic low electrical conductivity poses a substantial challenge to its practical applications. Here, the ultrathin TiO2 nanosheets were obtained. The TiO2 nanosheets with a thickness of ∼8 nm and exposed 84 % (001) facet. The exposed (001) crystal facets and ultrathin nanosheet structure provide abundant active sites for Na-ion adsorption, shortens ion diffusion pathways, enhances reaction kinetics, and significantly boosts the pseudocapacitive effect. This synergistic strategy of exposed (001) facet with nanosheets structure leads to an exceptional capacity of 177.1 mAh/g at 0.1 A/g, and 59 % capacity retention at 5 A/g. This work will contribute to the understanding of facet-dependent electrochemical behavior anode materials for high-performance SIBs.

Polar Molecule Intercalation to Weaken P2─S Bonding in MnPS3 Toward Ultrahigh-Capacity Sodium Storage.

Layered transition metal trithiophosphates (TMPS3, TM = Mn, Fe, Co, etc.) with high theoretical capacity (>1300 mAh g-1) are potential anode materials for sodium-ion batteries (SIBs). However, the strong bonding between P2 dimers and S atoms in TMPS3 hinders the efficient alloying reaction between P2 dimers and Na+, resulting in practical capacities much lower than theoretical values. Herein, a polar molecule diisopropylamine (DIPA) is intercalated into MnPS3 for the first time to improve the sodium storage performance effectively. Theoretical calculations show that the electron transfer between DIPA and MnPS3 induces more delocalized S p states and weaker P─S bonds, significantly enhancing the electrochemical activity and sodiation/desodiation reaction kinetics. Moreover, the expanded interlayer spacing from 6.48 to 10.75 Å enables faster Na+ diffusion and more active sites for Na+ adsorption. As expected, the DIPA-MnPS3 exhibits an ultrahigh capacity of 1,023 mAh g-1 at 0.2 A g-1 and excellent cycling performance (≈100% capacity retention after 4200 cycles at 10 A g-1), far outperforming those metal thiophosphates anodes reported for SIBs. Interestingly, in situ and ex situ characterizations reveal a quasi-topological intercalation mechanism of DIPA-MnPS3. This work provides a novel strategy for the design of high-performance anode materials for SIBs.

Coal-based graphene derived from different coal ranks: exceptional sodium storage performance in sodium-ion batteries.

Coal is a premium carbon material precursor as anode materials for sodium-ion batteries (SIBs). Additionally, developing anode materials with large capacity and rapid charging performance is essential for the advancement of SIBs. Consequently, in this work, coal-based reduced graphene oxide (CrGO) was prepared as an anode materials for SIBs by a modified Hummers-high temperature thermal reduction method with different ranks of coal (coal-based graphite, CG) as a precursor. The CG prepared from higher-rank coal exhibits a higher degree of graphitization, and its graphene layers are easier to exfoliate. The unique microstructure of CrGO provides stability during the sodium storage process and exhibits fast ion capacitive adsorption behavior, enhancing reaction kinetics. CrGO, with an initial reversible capacity of up to 331 mA h g-1 at a current density of 0.03 A g-1, achieves a specific capacity of 75 mA h g-1, even at a high current density of 10 A g-1. Notably, CrGO also maintains a good specific capacity of 123 mA h g-1 after 1000 cycles at a current density of 1 A g-1, with a capacity retention rate of 91.8%. This study highlights the potential for using coal-derived materials in the development of high-performance anode materials for SIBs, promoting the green and high-value utilization of coal.

Novel paddy-like Bi-Sb-Cu alloy fabricated via pulse reverse potential electrodeposition enabling high-performance sodium-ion batteries

Sodium-ion batteries (SIBs) have gained remarkable interest as cost-effective and scalable energy storage devices. Nevertheless, their further application has been significantly hindered due to the limited selection of desirable anode materials that can provide both high capacity and excellent cycling stability. Herein, we developed a hierarchical paddy-like Bi42.3Sb35.2Cu22.5 alloy anode on Cu foil via template-free pulse reverse potential electrodeposition. The Bi42.3Sb35.2Cu22.5 anode obtains a considerable specific capacity of 529.5 mAh·g−1 after 120 cycles with a remarkable capacity retention of 95.5 %, signifying a capacity loss of only 0.0375 % per cycle. However, Bi44.9Sb55.1 anodes obtained by the pulse potential electrodeposition strategy reveal a conventional irregular cluster structure, delivering only 64.5 mAh·g−1 after 100 cycles and also demonstrating inferior rate performance compared to Bi42.3Sb35.2Cu22.5 anodes. The enhanced cycling performance of the paddy-like Bi42.3Sb35.2Cu22.5 anode is primarily attributed to the introduced Cu-doped network facilitating the rapid diffusion of Na+ and also ensuring the stability of the electrode structure. Moreover, the unique paddy-like structure of Bi42.3Sb35.2Cu22.5 mitigates volume expansion-related stress and facilitates efficient charge transport through open channels. This is further corroborated by conducting CV measurements, indicating a greater capacitive contribution in the case of the Bi42.3Sb35.2Cu22.5 electrode compared to the Bi44.9Sb55.1 electrode. Additionally, SEM images show a stabilized surface morphology for the Bi42.3Sb35.2Cu22.5 electrode after cycling, demonstrating improved electrochemical performance. This work offers new insights into the development of high-performance anode materials for SIBs.

TD-graphene: Theoretical prediction of a high-performance anode material for sodium-ion batteries with intrinsic metallicity, high capacity, and fast ion mobility

The utilization of pristine graphene as an anode material in sodium-ion batteries (SIBs) is limited by its inherent chemical inertness toward Na-ions. To address this issue, we propose a two-dimensional carbon allotrope (named as TD-graphene) by assembling tricyclo[4.4.1.11,6]dodecane (C12H20) skeleton. The topological non-hexagonal feature of C12H20 increases the degree of local carbon-ring disorder and introduces additional electron-deficient regions on the surface, thus enhancing the adsorption capability of Na. TD-graphene demonstrates exceptional stability across the energetic, thermodynamic, dynamic, and mechanical aspects. As a promising anode for SIBs, it exhibits an intrinsic metallicity, an ultra-high storage capacity (1487.58 mA h g−1), a low diffusion barrier (0.20 eV), a low average open-circuit voltage (0.33 V), and a small lattice expansion (0.6%). The presence of solvents with high dielectric constants improves the adsorption and migration capability of Na. Furthermore, taking into account the limitation of single-layer materials in practical applications, we employ h-BN as a promising substrate for TD-graphene, which can boost the Na adsorption and diffusion performance. These results render TD-graphene as a promising high-performance anode material for SIBs.

Recent Progress in Developing High-Performance Anode Materials for Next-Generation Sodium-Ion Batteries

Rechargeable lithium-ion batteries (LIBs) have attracted great attention due to their large-scale energy storage applications such as electric vehicles (EVs) and grid-scale energy storage systems (ESSs). The ongoing transition towards EVs has accelerated ever-increasing demand for LIBs that causes the shortage of lithium metal resources and their expensive price. Therefore, great efforts have been made to exploit an alternative system that replaces the conventional LIBs. While sodium-ion batteries (SIBs) can be the most evident alternatives to LIBs based on the natural abundance and low cost of sodium resources, the major scientific challenges reside in developing the new anode materials due to the poor performance of conventional LIB anodes in Na cells, such as graphite and silicon. This article reviews the potential of SIBs as promising alternatives to LIBs and recent progress in developing high-performance anode materials for SIBs. The strengths and drawbacks of recently developed anode materials have been discussed, including graphite, hard carbon, silicon, phosphorus, and other transition metal compounds such as oxides, phosphides, and sulfides.

Progress and Prospect of Bimetallic Oxides for Sodium-Ion Batteries: Synthesis, Mechanism, and Optimization Strategy.

Sodium-ion batteries (SIBs) are considered as an alternative to and even replacement of lithium-ion batteries in the near future in order to address the energy crisis and scarcity of lithium resources due to the wide distribution and abundance of sodium resources on the earth. The exploration and development of high-performance anode materials are critical to the practical applications of advanced SIBs. Among various anode materials, bimetallic oxides (BMOs) have attracted special research attention because of their abundance, easy access, rich redox reactions, enhanced capacity and satisfactory cycling stability. Although many BMO anode materials have been reported as anode materials in SIBs, very limited studies summarized the progress and prospect of BMOs in practical applications of SIBs. In this review, recent progress and challenges of BMO anode materials for SIBs have been comprehensively summarized and discussed. First, the preparation methods and sodium storage mechanisms of BMOs are discussed. Then, the challenges, optimization strategies, and sodium storage performance of BMO anode materials have been reviewed and summarized. Finally, the prospects and future research directions of BMOs in SIBs have been proposed. This review aims to provide insight into the efficient design and optimization of BMO anode materials for high-performance SIBs.

Interface engineering of metal sulfides-based composites enables high-performance anode materials for sodium-ion batteries

Metal sulfides (MSs) have attracted much attention as anode materials for sodium-ion batteries (SIBs) due to their high sodium storage capacity. However, the unsatisfactory electrochemical performance induced by the huge volume change and sluggish kinetics hampered the practical application of SIBs. Herein, guided by the heterostructure interface engineering, novel multicomponent metal sulfide-based anodes, including SnS, FeS, and Fe3N embedded in N-doped carbon nanosheets (SnS/FeS/Fe3N/NC NSs), have been synthesized for high-performance SIBs. The as-prepared SnS/FeS/Fe3N/NC NSs with abundant heterointerfaces and high conductivity of N-doped carbon nanosheet matrix can shorten the Na+ diffusion path and promote reaction kinetics during the sodiation/desodiation process. Moreover, the presence of Fe3N can promote the reversible conversion of SnS and FeS during the cycling process. As a consequence, when evaluated as anode materials for SIBs, the SnS/FeS/Fe3N/NC NSs can maintain a high sodium storage capacity of 473.6 mAh g-1 after 600 cycles at 2.0 A g-1 and can still provide a high reversible capacity of 537.4 mAh g-1 even at 5.0 A g-1 This discovery offers a novel strategy for constructing metal sulfide-based anode materials for high-performance SIBs.

Facile and scalable pulsed electrodeposition of bi-active Bi-Sb alloy for high performance sodium ion batteries

Although sodium ion batteries (SIB) have shown great potential for large-scale energy storage systems, the development of high-performance anode materials for SIB is crucial for their progress. However, the cycling performance of SIB is currently limited by severe volume changes during the sodiation/desodiation process. To overcome this problem, a bi-active metal alloying strategy has been proposed. In this study, we utilized pulsed electrodeposition to prepare bismuth-antimony alloy anode materials. The resulting Bi44.9Sb55.1 alloy anode exhibited exceptional specific capacity, rate performance, and stability. After the second cycle, the discharge/charge capacities were 505.3 mAh·g−1/496.7 mAh·g−1 at 1 A·g−1, with a coulombic efficiency of over 98 %. Even after 50 cycles, the capacities remained at 494.7 mAh·g−1/481.9 mAh·g−1 with a capacity retention rate of 97.9 %. These excellent properties were attributed to the stable structure and suitable voids for electron transport and ion diffusion in the Bi44.9Sb55.1 alloy, which effectively mitigated volume expansion during cycling. The reaction kinetics and mechanism were studied using cyclic voltammetry, in situ X-ray diffraction, and nuclear magnetic resonance techniques. Our work provides valuable insights for the development of bi-active metal alloy anodes for SIB.

Facile flame synthesis of S-doped Fe2O3 on carbon cloth as superior anode material for sodium-ion battery

Take advantage of its superior theoretical specific capacity, Fe2O3 based nanocomposites are promising candidates for sodium ion batteries (SIBs). However, the complicate synthetic procedure hinders their further application. Herein, a facile ethanol diffusion flame synthesis approach is developed to prepare S-doped Fe2O3 composite on carbon cloth. The morphology of the Fe2O3 can be easily controlled by tuning the composition of the fuel and duration time of the flame treatment. Optimized composite with flake-like structure and heteroatom S-doped Fe2O3 (S/Fe2O3@CC-2) displayed enhanced electrochemical sodium storage performances. Specifically, sample S/Fe2O3@CC-2 maintained a reversible discharge capacity of 464.3 mAh g−1 after 150 cycles at 0.2 A g−1. Besides, at current densities of 0.4, 0.8, 1.6 and 3.2 A g−1, capacities of 393.8, 311.2, 277.5 and 218.9 mAh g−1 could be maintained, respectively. Kinetic analysis implies that S/Fe2O3@CC-2 manifested an improved capacitive-controlled sodium storage process. This work will shed light on facile and low-cost approach for the synthesis of high-performance anode materials for SIBs.

N/S co-doped carbon electrode material made from saponin pod skin for sodium ion battery with high performance

Waste biomass material derived carbon has become an important energy storage material which is easily available, inexpensive and environmentally friendly. However, it is a major challenge to develop ultra-high specific capacity and stable anode materials based on biomass carbon materials (BCMs). In this work, saponin pod skin was doped with thiourea through a simple hydrothermal process, followed by being sintered in one step to obtain simultaneously N and S elements co-doped porous carbon anode material for sodium ion batteries (SIBs). The active sites and layer spacing of the original pure BCM have been altered, which are conducive to the promotion of ion/electron transport. The half battery (Na/electrolyte/C) has a specific capacity of 259 mAh g‐−1 at 0.1 A g−1 maintaining a specific capacitance of 238 mAh g−1 after 250 cycles, meanwhile it could reach a potential capacity of 239 mAh g−1 at 1.0 A g−1 which maintaining a specific capacity of 120 mAh g−1 after 1000 cycles. This research provides new strategy for the development of novel biomass-derived carbon materials as anode materials for high-performance SIBs.

Cow leather-derived N/O codoped hard carbon as a high-performance anode material for sodium-ion batteries

Sodium-ion batteries (SIBs) have gained increasing attention owing to the abundant and cost-effective availability of sodium precursors. However, the quest for cost-effective and high-performing anode materials for SIBs remains a challenging task. In this study, we employed a straightforward pyrolysis method to fabricate nitrogen (N)- and oxygen (O)-doped hard carbon (HC) using waste cow leather, a low-cost biomass with high yield, as a carbon source. Our findings reveal that the pyrolysis temperature significantly influences the sodium storage performance of cow leather-derived HCs by modulating their microstructures and compositions. Specifically, the cow leather-derived HC pyrolyzed at 1100 °C exhibits a high reversible specific capacity of 207.9 mAh g−1 after 100 charge/discharge cycles at a current density of 0.1 C. Additionally, a reversible capacity of 142 mAh g−1 is maintained after 200 cycles at 1 C. Density functional theory (DFT) calculations validate that N/O codoping in HCs enhances the presence of defects and active sites and facilitates electron transfer, thereby improving sodium storage performance. This work provides insights into the sodium storage behavior of cow leather-derived HCs carbonized at different temperatures and presents a promising avenue for converting solid waste into high-performance anode materials for SIBs.

Layered hollow FeSe2 based on salt template as anode for sodium-ion batteries with advanced electrochemical performance

Iron selenides are considered as potential anode materials for sodium-ion batteries (SIBs) because of its low cost and high theoretical specific capacity. Yet the severe volume expansion leading to capacity degradation has critically hindered its utilization in SIBs. Herein, FeSe2 with layered hollow structure (noted as LH-FeSe2) was designed and synthesized by KCl template method. Hollow nanostructures formed by salt templates alleviate the capacity attenuation caused by volume expansion, and the interlayer structure of LH-FeSe2 also increases the Na+ storage capacity and ion diffusion rate. The as-acquired LH-FeSe2 performs good cycling stability with high retention capacity of 517 mA h g−1 after 500 cycles at 1 A g−1. In addition, LH-FeSe2 with small specific surface area shows extremely high pseudocapacitive behavior, suggesting that it is an intrinsic pseudocapacitive material. This method provides a new horizon for the preparation of high-performance anode materials for SIBs.

Two-dimensional AlB4/Al2B2: high-performance Dirac anode materials for sodium-ion batteries.

Sodium-ion batteries (SIBs) have attracted much attention due to their abundant earth-reserves and low cost. Two-dimensional (2D) Dirac materials show great application prospects as anodes for SIBs because of their excellent electronic conductivity. We explore the performances of AlB4 (Al2B2) monolayers and bilayers as anodes for SIBs by using first-principles calculations. The AlB4 (Al2B2) monolayer exhibits a high theoretical storage capacity of 954.15 (709.17) mA h g-1 and a low diffusion barrier of 0.36 (0.03) eV. The calculated average open-circuit voltage (0.68/0.18 V) falls within the acceptance range of 0.1-1.0 V for anode materials. The fully sodiated AlB4 (Al2B2) monolayer shows a tiny lattice expansion of 0.9% (2.4%), suggesting good reversibility. Furthermore, in comparison with the AlB4 (Al2B2) monolayer, the AlB4 (Al2B2) bilayer can provide stronger binding with Na on the outside surface. These results contribute to a better understanding of the AlB4 (Al2B2) monolayers and bilayers as potential high-performance anode materials for SIBs.

Two-dimensional silicether: A promising anode material for sodium-ion battery

Sodium-ion batteries (SIBs) are expected to replace lithium-ion batteries as the next generation of commercial secondary batteries. However, the large-scale commercial use is hindered by the lack of suitable anode materials. Based on first-principles calculations, we systematically investigate the electrochemical performance of 2D silicether as an anode material for SIBs. It could turn to the metallic state from semiconductor after being intercalated with a low Na concentration of 0.056. Owing to the special groove-like structure of silicether, Na atom crosses a low energy barrier of 0.40 eV along the armchair direction. The theoretical storage capacity (418 mA h/g), the average electron potential (2.22 V), and no significant volume expansion suggest that silicether has a great potential in SIBs. Moreover, bilayer silicether could preserve the performances of silicether monolayer, such as strong Na adsorption capability and fast ionic mobility. The above-mentioned appealing results make silicether a high-performance anode material for SIBs.

Cobalt-nickel bimetallic sulfide (NiS2/CoS2) based dual-carbon framework for super sodium ion storage

Design hybrid metal sulfides-based anode materials is one of the most effective approaches to improve the performance of sodium-ion batteries (SIBs). However, owing to the huge volume expansion, the capacity of sulfide-based anode will decay significantly after repeated charge/discharge processes. Herein, we reported the successful demonstration of anode material based on concaved NiS2@CoS2 nanocube (NCSC) via a chemical etching strategy, which was derived from etching and sulfidation of Ni-Co coordination polymers (NiCoCP) precursor. The obtained NCSC anode materials deliver a high specific sodium storage capacity of 848 mAh g−1 at 0.1 A g−1 and a stable cyclability of 572 mAh g−1 at 5 A g−1 after 830 cycles. This special etching strategy exploit a novel way for the design and preparation of high-performance anode materials for SIBs.

Insights into the Na-Alloying Mechanism and Zintl Phase Transition of Lead-Based Anodes

Sodium-ion batteries (SIBs) has been received growing attention in the electrical energy storage fields due to their low cost and earth-abundant sodium. [1] However, there has been a lack of new discoveries, growth directions, and real advancement with respect to Na-storage anodes. Despite the chemical similarities between sodium and lithium as alkali elements, the larger Na ion than Li ions (ionic radii of 0.98 Å and 0.68 Å, respectively) is limited to insertion into host materials and results in different phase transition behavior. [2] Among the available anode candidate materials for SIBs, lead (Pb), which has a large atomic size than other elements (e.g. Si, Sn), provides a big interstitial space to accommodate large Na ions by fast ionic diffusion, enabling reversible Na alloying/dealloying and exhibiting high volumetric capacity. [3] Furthermore, when Pb is used as anode with layered sodium transition metal oxide as cathode, the energy density of the pouch-type cell is estimated to be 549 Wh/L and the cost is lower than 63.5 USD/kWh according to the Argonne BatPac model. [4] Therefore, Pb-based materials have competitive potential as promising anodes and it is crucial to understand the electrochemical process from a fundamental perspective.Here, we investigate a unique Na storage mechanism using a novel Pb-based carbon nanocomposite anode synthesized by a simple high-energy milling method. The electrochemical data show a decent cycle performance with a reversible capacity of 381 mAh/g. Nevertheless, the Na-storage performance of the Pb-based anode was not attractive compared to Li cells. In-situ X-ray diffraction and ex-situ X-ray absorption spectroscopy reveal the reaction mechanism and Zintl-phase formation that limits the Na storage, unlike the Li reaction. We expect these findings provide fundamental knowledge of Na-alloying reaction and guidance for designing anode materials for high-performance SIBs.[1] K. Kubota and S. Komaba Journal of The Electrochemical Society, 2015, 162 (14) A2538-A2550[2] M. Lao, Y. Zhang, W. Luo, Q. Yan, W. Sun, and S. X. Dou Adv. Mater. 2017, 29 , 1700622[3] Chia-Yun Chou, Myungsuk Lee, and Gyeong S. Hwang, J. Phys. Chem. C 2015, 119, 27, 14843–14850[4] P. Nelson, K. Gallagher, I. Bloom, Dennis Dees, and Shabbir Ahmed, BatPaC, Argonne National Laboratory. http://www.cse.anl.gov/batpac.

Engineering honeycomb-like carbon nanosheets encapsulated iron chalcogenides: Superior cyclability and rate capability for sodium ion half/full batteries

Metal chalcogenide-based anodes have attracted extraordinary attention for rechargeable sodium-ion batteries (SIBs) due to their cost-effectiveness and relatively high theoretical capacities. However, they usually exhibit poor electrochemical performance due to large volume change and low ionic/electronic conductivity. Herein, an effective strategy is developed to fabricate nitrogen doping 3D honeycomb-like carbon nanosheets-wrapped FeS nanoparticles for SIB anodes with outstanding sodium storage performance. As a result, FeS@NC anode exhibits high sodium ion storage capacity of 666.0 mAh g−1 at a current density of 0.1 A g−1, excellent rate capability of 617.3 mAh g−1 at 2 A g−1 and superior cycling stability. Moreover, the FeS@NC anode in a full-cell configuration shows high cyclic stability (no capacity attenuation over 200 cycles with 99.9% coulombic efficiency). Accordingly, this work provides a new avenue to construct high-performance anode materials for SIBs.

Insights into the storage mechanism of novel mesoporous hollow TiO2-x/C nanofibers as a high-performance anode material for sodium-ion batteries

Titanium oxide (TiO2) is one of the promising anode materials for sodium-ion batteries (SIBs) owing to its high theoretical capacity (335 mA h g−1), reasonable operation voltage (0.7 V), low cost, and low toxicity, but suffers from its low electronic conductivity and ionic diffusion coefficient. Here, the novel mesoporous hollow TiO2-x/C nanofibers were designed and synthesized by the simple coaxial electrospinning with the annealing treatment in H2/Ar atmosphere (H–TiO2-x/C). Benefitting from the oxygen vacancies (OVs), mesoporous hollow nanofibers, and conductive carbon framework, the electronic conductivity and ionic diffusion coefficient of H–TiO2-x/C are remarkably enhanced. The as-synthesized H–TiO2-x/C demonstrates an excellent reversible capacity of 262.4 mA h g−1 at 33.5 mA g−1, superior rate performance of 142.6 mA h g−1 at 1.675 A g−1, and prominent capacity retention of almost 100% with a capacity of 131.3 mA h g−1 over 7000 cycles under a current density of 3.35 A g−1. Moreover, the in-situ X-ray diffraction analysis and density functional theory calculation reveal that the H–TiO2-x/C possesses stable structure and low energy barriers. Furthermore, Na-ion full-cell of Na0.67Ni0.33Mn0.37Ti0.3O2//H–TiO2-x/C delivers an energy density of 398.2 Wh kg−1 with a retention of 95.1% after 100 cycles at 0.335 A g−1. This work indicates the great promise of the novel mesoporous hollow H–TiO2-x/C nanofibers as high-performance anode materials for SIBs.

Metal organic frameworks derived CoS2/NiS2 heterostructure toward high-performance sodium storage anode materials

• CoS 2 /NiS 2 was synthesized by a simple hydrothermal sulfidation method. • CoS 2 /NiS 2 was employed as anode material for high-performance SIBs. • Reaction mechanism was proposed based on in-situ XRD and ex-situ HRTEM analysis. • DFT calculation was performed to understand the electrochemical performance. Synergistic effect of different components in the anode material composed of transition metal dichalcogenides with heterostructure could result in high reversible capacity and superior rate performance for sodium ion batteries (SIBs). Herein, CoS 2 /NiS 2 heterostructure is fabricated from Co-based metal organic framework (MOF, ZIF-67) with a co-precipitation process followed by a hydrothermal sulfidation procedure. The obtained CoS 2 /NiS 2 anode delivers a high capacity of 801.5 mA h g −1 at 0.1 A g −1 with an initial Coulombic efficiency of 88.4%. Remarkably, the cyclic stability with a highly reversible capacity of 545.1 mA h g −1 at 5 A g −1 is maintained even within 2000-cycle testing. In addition, the amorphization and conversions of the CoS 2 /NiS 2 heterostructure during the electrochemical process are analyzed by an in-situ X-ray diffraction instrument. Based on density functional theory (DFT) calculations, it is found that energy barrier (0.085 eV) of the sodium ion transport for CoS 2 /NiS 2 is lower than that of CoS 2 (0.614 eV), which should be attributed to the outstanding electrochemical performance with rapid reaction kinetics. Such a design concept is expected to be used for building other anode material with heterostructures for SIBs.