N-doped Carbon Framework Research Articles

Co4N nanoparticles encapsulated in N-doped carbon framework for boosting electrochemical stability in quantum dot sensitized solar cells

Designing and constructing a delicate structure is an effective strategy to ensure the electrocatalytic stability of catalysts with excellent performance in quantum dot sensitized solar cells (QDSSCs) but remains challenging. Herein, ultrafine Co4N nanoparticles are encapsulated in a fish-scale-like N-doped carbon framework (Co4N@NC) in the form of Co–N–C bonds via a facile three-step method, including precursor construction, calcined carbonization and nitridation process. Notably, in the exquisite precursor construction process, the gelatinous chitosan induced by citric acid effectively bonds Co(Ⅱ) ions, and a fish-scale-like structure is designed under the action of template F127. The construction of this composite structure can increase contact with the electrolyte, favor electron conduction between particles, and improve the stability of the catalyst, thereby dramatically boosting the polysulfide reduction performance for QDSSCs. Co4N@NC is employed as the counter electrode (CE) of QDSSCs for the first time, its charge transfer resistance (Rct) is as low as 1.12Ω, and the power conversion efficiency of CdS/CdSe QDSSC reaches 5.54%, confirming extraordinary reduction activity towards Sn2−. Especially, compared with Co4N CE, Co4N@NC CE has better tolerance to polysulfide electrolytes and shows excellent electrochemical stability. This work provides a new strategy to improve the performance and stability of Co4N for the polysulfide reduction reaction.

Nitrogen-doped carbon material encapsulated Fe3C with dual-reaction centres to boost peroxymonosulfate activation for efficient organic pollutant removal

Peroxymonosulfate (PMS) activation based on iron-based catalyst has caught increasing attention in wastewater treatment, but is strongly impeded by the sluggish kinetics of Fe(II) recovery. In this study, nitrogen-doped carbon encapsulated Fe3C with dual-reaction centres coupled via CFe channel was developed by electrospinning and Chemical Vapor Deposition (CVD) technique. The remarkable catalysis performance was conferred by the formation of CFe short bond which linked C poor electron reaction centres from N-doped carbon frameworks and the Fe rich electron reaction centres from Fe3C. Fe@NC-800 achieved 100% sulfamethoxazole (SMX) degradation within 20 min, and showed excellent cycle stability after 5 cycles. The electron transfer rate between the dual-reaction region was accelerated due to short transport distance and low transmission resistance. Electrons from pollutants were compensated to Fe3+ via CFe bond bridges, promoting the regeneration of Fe2+ and accelerating the efficiency of the Fe2+/Fe3+ cycle. Besides, the experiments of reactive oxygen species (ROS) quenching and capture revealed the degradation pathway. Both radical and nonradical oxidation played a key role in the Fe@NC-800/PMS system. This work will offer a valuable clue on the design of multi-benefit catalysts to achieve efficient removal of pollutants in wastewater.

Mesoporous waffle-like N-doped carbon with embedded Co nanoparticles for efficiently electrocatalytic oxygen reduction and evolution

Rational design and facile preparation of high-performance carbon-based eletrocatalysts for both oxygen reduction and evolution reactions (ORR and OER) is crucial for practical applications of rechargeable zinc-air batteries. Inspired by the fact that the metallic Co catalysis on the formation of carbon nanotubes (CNTs), this work develops a facial compression-pyrolysis route to synthesize a mesoporous waffle-like N-doped carbon framework with embedded Co nanoparticles (Co@pNC) using a Co metal–organic framework and melamine as precursors. The unique porous waffle-like carbon framework is built up of interwoven N-doped CNTs and graphene nanosheets, which offers abundant catalytic-active sites and rapid diffusion channels for intermediates and electrolyte. The optimized Co@pNC shows excellent bifunctional ORR/OER electrocatalytic activity in alkaline media with a half-wave potential (E1/2) of 0.85 V for ORR and a small potential gap of 0.70 V between ORR E1/2 and OER potential at 10 mA cm−2. Its assembled battery exhibits a peak power density up to 150.3 mW cm−2, an energy density of 928 Wh kgZn-1 and superb rate capability. It highlights a facile component and architecture strategy to design high-performance carbon-based eletrocatalysts.

Scalable fabrication of Bi@N-doped carbon as anodes for sodium/potassium-ion batteries with enhanced electrochemical performances

Metallic bismuth as a promising anode for alkali metal-ion batteries has attracted great attentions because of superb volumetric capacity (3800 mA h cm−3) and suitable working voltage plateaus (∼0.5 V). However, Bi anode suffers from large volume change during repeated cycling, resulting in poor cycle performance. In this contribution, Bi nanoparticles embedded in N-doped carbon materials (Bi@N-C) are designed and fabricated by one-step pyrolysis method. Thanks to the synergistic effects of Bi nanoparticles and the N-doped carbon framework, the elaborately designed Bi@N-C can not only reduces the ion/electron diffusion pathways and enhances the reaction kinetics, but can also availably inhibits the agglomeration of Bi particles, and effectively alleviates the volume fluctuation. As an anode material, the Bi@N-C exhibits advanced rate capability (219 mA h g−1 at 5 A g−1) and excellent stable cycle ability (307 mA h g−1 at 1 A g−1, after 400 cycles) in sodium-ion batteries. Furthermore, the Bi@N-C anode also exhibit good stable cycle ability (240 mA h g−1 at 1 A g−1, after 70 cycles) in potassium-ion batteries. This study provides a facile and environmentally friendly way for fabricating high performance Bi anodes towards SIBs and PIBs.

One-step construction of NiCo alloy particles encapsulated in N-doped carbon frameworks application for overall water splitting

The development of electrolyzed water catalyst with high activity, low cost, and long-term stability is still a challenge. This work reports a convenient strategy for synthesizing N-doped carbon-coated nickel-cobalt alloy particles (NiCo@NC) composites via a one-step high-temperature carbon reduction method. Among all the catalysts, Ni2Co1@NC shows the best OER and HER activities. In 1 M KOH system, the electrocatalyst Ni2Co1@NC requires only 346 mV to reach 50 mA cm−2 for OER and 189 mV to reach 10 mA cm−2 for HER. Tafel slope values are 50.1 and 83.9 mv dec−1 for OER and HER, respectively. In the 25 h HER and OER stability test for Ni2Co1 @NC catalyst, the current density hardly decays, and even slightly increases. In addition, the Ni2Co1@NC used as the dual functional catalyst achieves the voltage of 1.9 V at 50 mA cm−2. The enhanced catalytic performance is closely related to the microstructure and composition of nitrogen-doped carbon coated NiCo alloy catalysts. This approach provides a facile strategy for designing highly active and low-cost bifunctional catalysts.

Efficient and stable neutral zinc-air batteries by three-dimensional ordered macroporous N-doped carbon frameworks loading NiN4 active sites

Neutral zinc-air batteries prevent the carbon based catalysts from being oxidized during cycling, which show excellent potential for long-term energy storage. Three-dimensional ordered macroporous nitrogen doped carbon frameworks with NiN4 (3DOM NiNC) were constructed by in situ reaction of Ni nanoparticles and dicyandiamide. The 3DOM NiNC bifunctional catalysts exhibit comparable oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) efficiency and stablity. The 3D interconnected structure of 3DOM NiNC provides sufficient channel for mass transfer, resulting in high power density (35 mW cm−2) and long cycle life (580 cycles) of neutral zinc-air batteries. Meanwhile the failure mechanism in neutral electrolyte was discussed.

Engineering the Coordination Interface of Isolated Co Atomic Sites Anchored on N-Doped Carbon for Effective Hydrogen Evolution Reaction.

The regulation of the coordination environment of the central metal atom is considered as an alternative way to enhance the performance of single-atom catalysts (SACs). Herein, we design an electrocatalyst with active sites of isolated Co atoms coordinated with four sulfur atoms supported on N-doped carbon frameworks (Co1-S4/NC), confirmed by high-angle annular dark-field scanning transmission electron microscope (HADDF-STEM) and synchrotron-radiation-based X-ray absorption fine structure (XAFS) spectroscopy. The Co1-S4/NC possesses higher hydrogen evolution reaction (HER) catalytic activity than other Co species and exceptional stability, which exhibits a small Tafel slope of 60 mV dec-1 and a low overpotential of 114 mV at 10 mA cm-2 during the HER in 0.5 M H2SO4 solution. Furthermore, through in situ X-ray absorption spectrum tests and density functional theory (DFT) calculations, we reveal the catalytic mechanism of Co1-S4 moieties and find that the increasing number of sulfur atoms in the Co coordination environment leads to a substantial reduction of the theoretical HER overpotential. This work may point a new direction for the synthesis, performance regulation, and practical application of single-metal-atom catalysts.

Three-dimensional porous FeS@N doped carbon nanosheets for high-rate and high-stable sodium/potassium storage

The three-dimensional (3D) FeS@N doped Carbon (NC) nanosheets are successfully synthesized using a simple sol-gel method followed by a solid sulfidation process. As SIBs anode, the 3D FeS@NC nanosheets exhibit a maintainable capacity (254 mAh g−1 at 1.5 A g−1 upon 1100 cycles) and outstanding rate behaviour. As PIBs anode, the 3D FeS@NC nanosheets also exhibit a maintainable capacity (120 mAh g−1 at 1 A g−1 upon 1100 cycles) and outstanding rate behaviour. The excellent electrochemical performance can be attributed to the distinctive 3D porous FeS@NC nanosheets, which can inhibit the aggregation and pulverization of FeS, enhance electronic/ionic conductivity, firmly immobilize the dissolved polysulfides, and provide a larger contact area between active materials and electrolytes. Moreover, the N-doped carbon framework can also provide substantial active sites for Na+(K+) storage. Our synthesizing strategy can be potentially utilized for fabricating other 3D metal sulfide@C composites for SIB (PIB) anodes.

N-bridged Ni and Mn single-atom pair sites: A highly efficient electrocatalyst for CO2 conversion to CO

Herein, we report highly efficient diatomic electrocatalysts with Ni and Mn single-atom pair sites decorated on N-doped porous carbon framework for CO2 conversion. The resulting catalysts can preferentially and rapidly convert CO2 into CO with a high Faradaic efficiency of 98.3% and an industrially relevant current density of – 300 mA cm−2 at a low overpotential of 0.287 V in a GDE-based flow reactor cell. Furthermore, it shows high cathodic energetic efficiencies over 80 % for CO production even under industrially relevant current densities. The in-depth experimental measurements and theoretical calculations reveal that the synergistic electronic modification effect caused by coupling neighboring Ni and Mn single atoms exhibits favorable characteristics in reaction steps of CO2 conversion such as CO2 adsorption/activation and immobilization of CO2 radical intermediate as well as adsorbed CO desorption, leading to highly efficient CO production.

Abundant (110) Facets on PdCu3 Alloy Promote Electrochemical Conversion of CO2 to CO.

Electrochemical conversion of CO2 to high-value chemical fuels offers a promising strategy for managing the global carbon balance but faces huge challenges due to the lack of effective electrocatalysts. Here, we reported PdCu3 alloy nanoparticles with abundant exposed (110) facets supported on N-doped three-dimensional interconnected carbon frameworks (PdCu3/NC) as an efficient and durable electrocatalyst for electrochemical CO2 reduction to CO. The catalyst exhibits extremely high intrinsic CO2 reduction selectivity for CO production with a Faraday efficiency of nearly 100% at a mild potential of -0.5 V. Moreover, a rechargeable high-performance Zn-CO2 battery with PdCu3/NC as a cathode is developed to deliver a record-high energy efficiency of 99.2% at 0.5 mA cm-2 and rechargeable stability of up to 133 h. Theoretical calculations elucidate that the exposed (110) facet over PdCu3/NC is the active center for CO2 activation and rapid formation of the key *COOH intermediate.

Porous carbon framework decorated with carbon nanotubes encapsulating cobalt phosphide for efficient overall water splitting

Exploration of catalysts for water splitting is critical for advancing the development of energy conversion field, but designing bifunctional catalysts remains a major challenge. Herein, we demonstrate the N-doped carbon nanotube (NCNT)-grafted N-doped carbon (NC) framework embedding CoP nanoparticles (CoP@NC/NCNT) as hydrogen and oxygen evolution reaction (HER and OER) catalysts for water splitting. As a result, the CoP@NC/NCNT electrode requires the overpotentials of 106 and 177 mV at 10 mA cm−2 in 0.5 M H2SO4 and 1.0 M KOH solutions for HER, respectively. Moreover, an overpotential of 324 mV for OER can drive 10 mA cm−2 in 1.0 KOH. The CoP@NC/NCNT-based electrolyzer derives a current density of 10 mA cm−2 at a low voltage of 1.72 V in 1.0 M KOH and remains stable for 10 h. The outstanding electrocatalytic performance is mainly attributed to the hierarchical structure with rich branches and highly active component of CoP. The intimate contacts between hierarchical porous NC frameworks by cross-linked NCNTs create a 3D conductive network, which facilitates electron or mass transfer and activates CoP. This work offers a novel route for preparing hierarchical carbon framework encapsulated metal phosphide particles for potential applications in energy conversion field.

A metal–organic framework approach to engineer ZnO/Co3ZnC/N-doped carbon composite as anode material for boosting lithium storage

Conventional commercial lithium-ion battery (LIBs) anode materials are being proven hard to meet the demands of the modern advanced energy market due to their disadvantages, such as limited rate capability and theoretical capacity. Elaborate design of novel anode materials with higher energy storage properties has become a major focus of research recently. In this work, a N-doped carbon ZnO/Co3ZnC (named as ZnO/Co3ZnC) composite is facilely fabricated employing metal-organic framework (MOF) as a sacrificial template. In addition to the formation of N-doped carbon frameworks, the introduction of oxygen vacancies (OV) as well as the unique and stable structure are also conducive to boosting lithium storage properties. As expected, the ZnO/Co3ZnC based anode for LIBs displayed remarkable lithium storage properties, such as the specific capacity as high as 1162.4 mAh g−1 (after 300 cycles under 0.2 A g−1) and excellent high-rate performance (~ 533.8 and 473.3 mAh g−1 under 0.5 and 1 A g−1, respectively.) Consequently, this study reinforces the beneficial role of above-mentioned characteristics to render ZnO/Co3ZnC an appealing anode material for LIBs.

MOF-derived nitrogen-doped carbon-based trimetallic bifunctional catalysts for rechargeable zinc-air batteries

Zinc-air battery (ZAB) is a promising new metal-air energy system, but the large overpotentials of oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) around the air electrode lead to their poor energy efficiency. Herein, a novel bifunctional oxygen electrocatalyst is reported with the preparation of a zeolite imidazolate framework (ZIF-67) derived trimetallic composites decorated nitrogen-doped carbon, which consist of NiFe alloy and Co nanoparticles. The ZIF-derived porous N-doped carbon shell can speed up the mass transfer efficiency. Whereas the electronic effect between the formed NiFe alloy and Co nanoparticles, as well as the N-doped carbon framework can enrich the active centers and enhance the electrical conductivity. As a result, the NiFe-Co@NC-450 catalyst shows superior performance manifested as a small potential gap (ΔE = 0.857 V) between the overpotential at 10 mA cm−2 (E j=10) for OER (460 mV) and half-wave potential (E 1/2) for ORR (0.833 V). The liquid ZABs exhibit a high specific capacity reaching 798 mAh/gZn and a stable cycling performance at 10 mA cm−2 for more than 200 h. Meanwhile, the NiFe-Co@NC-450 based flexible ZABs also presents robust flexibility and stability. This study has certain implications for the development of economical, powerful and stable bifunctional catalysts for ZABs.

Fabrication of long-life quasi-solid-state Na-CO2 battery by formation of Na2C2O4 discharge product

Rechargeable Na-CO2 batteries are promising energy-storage devices due to their high energy density, environmental friendliness, and cost effectiveness. However, the insulating nature and irreversibility of the Na2CO3 discharge product cause large polarization and poor cyclicity. Here, we report a reversible quasi-solid-state Na-CO2 battery that is constructed by the synergistic action of a Co-encapsulated N-doped carbon framework catalyst and gel electrolyte to ensure the formation of a highly reversible Na2C2O4 discharge product. Experiments and density functional theory calculations indicate that the electron-agglomeration effect of Co nanoparticles enhances CO2 adsorption and lowers energy barrier, as well as promotes Na2C2O4 generation. A gel electrolyte containing an imidazole organic cation is used to inhibit the decomposition of the thermodynamically unstable Na2C2O4. The fabricated Na-CO2 battery exhibits a high discharge capacity of 3,094 mAh g−1, a high-rate performance of 1,777 mAh g−1 at a current density of 0.5 mA cm−2, and excellent cycling performance of 366 cycles (2,200 h).

Metal–Organic Framework-Derived Three-Dimensional Macropore Nitrogen-Doped Carbon Frameworks Decorated with Ultrafine Ru-Based Nanoparticles for Overall Water Splitting

Hydrogen energy with the advantages of green, sustainability, and high energy density has been considered as an alternative to fossil fuel energy. Water electrolysis to produce hydrogen is a promising energy conversion technology but limited to the large overpotential; thus, a highly efficient electrocatalyst is urgently needed. Herein, Ru-based electrocatalysts including an ultrathin Ru/three-dimensional (3D) macropore N-doped carbon framework (Ru/3DMNC) and ultrathin RuO2/3D macropore N-doped carbon framework (RuO2/3DMNC) are first prepared using a Zn-centered metal-organic framework (MOF, ZIF-8) as the precursor. The ultrathin 3D macropore framework structure together with N doping endows the as-synthesized Ru-based electrocatalysts with abundant exposed catalytic active sites, good electroconductivity, and excellent electron/mass transport, accomplishing improved activities for hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and overall water splitting. The Ru/3DMNC and RuO2/3DMNC present low overpotentials of 50.96 and 216.74 mV to reach a current density of 10 mA cm-2. Moreover, the overall water splitting device constructed by Ru/3DMNC and RuO2/3DMNC as the cathode and anode catalysts, respectively, affords a current density of 10 mA cm-2 only at 1.51 V, which is superior to the Pt/C||RuO2 cell (1.573 V). This work provides a rational strategy to design and construct the efficient framework structure electrocatalysts for water splitting using MOFs as the precursor.

Universal avenue to metal-transition metal carbide grafted N-doped carbon framework as efficient dual Mott-Schottky electrocatalysts for water splitting

Transition metal carbides (TMCs) have gained considerable attention as a non-precious multifunctional, highly active, stable electrocatalyst for efficient hydrogen evolution reaction (HER) due to its platinum like d-band electronic structure. The efforts to untie the gordian knot of developing a first-rate bifunctional electrocatalyst for efficient water splitting reaction via electronically modulated bimetallic carbides using a dual transition metal strategy have been reported here. Herein we in-situ fabricated a composite architecture consisting of N-doped CNT/ graphene hybrid anchoring Co/MoC, Co/WC and Co/VC Via an integrated pyrolysis technique to have a beneficial synergistic co-operation between each component and dual Mott-Schottky junctions resulting in a bifunctional HER and OER (oxygen evolution reaction) active catalyst exhibiting exemplary activity in both acidic and basic media. Co/MoC@NC exhibits the best activity with a lower overpotential of 279 and 260 mV towards OER and 92 and 143 mV towards HER to achieve a current density of 10 mA/cm2 in basic and acidic media, respectively. Along with this, it presents excellent water splitting performance in basic media, showing a relatively low cell voltage of about 1.686 V for driving a current of 10 mA/cm2 with decent stability. It is anticipated that the tandem electron transfer between the Co, MoC moieties and nitrogen doping-induced defects in graphene/ CNT hybrid-based conductive network support might be a reason for the superiority over other recently reported Mo based carbide materials.

Experimental and Theoretical Insights into Enhanced Hydrogen Evolution over PtCo Nanoalloys Anchored on a Nitrogen-Doped Carbon Matrix.

The identification of synergistic effect of Pt-based alloys on hydrogen evolution reaction (HER) requires a combination of experimental studies and theoretical calculations. Here, we present the construction of uniform PtCo nanoparticles grown on N-doped carbon frameworks via pyrolyzing Pt and Co ions adsorbed polyaniline, whereby the nanostructure of the nanoalloys can be effectively tuned by controlling the calcination temperature. As-prepared PtCo@NC-900 shows the optimal HER performance in 0.5 M H2SO4, resulting in a high mass activity of 4.31 A mgPt-1 and excellent operation durability, which far exceeds that of commercial 20 wt % Pt/C (0.30 A mgPt-1). Density functional theory calculations further reveal that the improved HER activity on PtCo(111) is originated from the strong electronic interaction between Pt and Co with favorable electron transfer, allowing for a more suitable binding strength for hydrogen (i.e., ΔG*H = -0.164 eV) compared with that of pristine Pt(111) (-0.287 eV).

Defective Fe3O4‐x Few‐Atom Clusters Anchored on Nitrogen‐Doped Carbon as Efficient Oxygen Reduction Electrocatalysts for High‐Performance Zinc–Air Batteries

It remains a challenge to develop cost-effective, high-performance oxygen electrocatalysts for rechargeable metal-air batteries. Herein, zinc-mediated zeolitic imidazolate frameworks are exploited as the template and nitrogen and carbon sources, onto which is deposited a Fe3 O4 layer by plasma-enhanced atomic layer deposition. Controlled pyrolysis at 1000°C leads to the formation of high density of Fe3 O4- x few-atom clusters with abundant oxygen vacancies deposited on an N-doped graphitic carbon framework. The resulting nanocomposite (Fe3 O4- x /NC-1000) exhibits a markedly enhanced electrocatalytic performance toward oxygen reduction reaction in alkaline media, with a remarkable half-wave potential of +0.930V versus reversible hydrogen electrode, long-term stability, and strong tolerance against methanol poisoning, in comparison to samples prepared at other temperatures and even commercial Pt/C. Notably, with Fe3 O4- x /NC-1000 as the cathode catalyst, a zinc-air battery delivers a high power density of 158mW cm-2 and excellent durability at 5mA cm-2 with stable 2000 charge-discharge cycles over 600 h. This is ascribed to the ready accessibility of the Fe3 O4- x catalytic active sites, and enhanced electrical conductivity, oxygen adsorption, and electron-transfer kinetics by surface oxygen vacancies. Further contributions may arise from the highly conductive and stable N-doped graphitic carbon frameworks.

Atomized Copper-Decorated Nitrogen-Doped Porous Carbon Fibers as a Self-Standing Air Cathode for Flexible Zinc–Air Batteries

Development of self-standing electrodes is highly desirable for flexible electrochemical energy storage and conversion devices. Herein, we report the facile synthesis of atomized copper-decorated nitrogen-doped porous carbon nanofibers by pyrolyzing g-C3N4-modified electrospun polyacrylonitrile (PAN) fibers directly from copper paper. The concurrent PAN fiber pyrolysis and copper paper atomization allow for diffusion of Cu atoms into the nitrogen-doped carbon framework. The as-prepared atomized copper-decorated nitrogen-doped porous carbon nanofibers possess a high surface area of 604.5 m2 g–1 and a pore volume of 1.70 cm3 g–1, with Cu atomically dispersed inside the N-doped carbon framework in the form of Cu–N4 active sites. The Cu incorporation leads to a positive shift of the half-wave potential in oxygen reduction reactions by 84 mV in an alkaline electrolyte. The open-circuit voltage (OCV) of the self-assembled flexible zinc–air battery reaches 1.37 V using the synthesized nanofiber membrane as self-standing cathode and decreases slightly with the increase in bending angles. The as-prepared material is also applied in a liquid zinc–air battery, delivering a power density of 100 mW cm–2 at a current density of 150 mA cm–2 with a remaining voltage above 1.0 V after discharging at 10 mA cm–2 for 292 h.

In-situ synthesis of antimony nanoparticles encapsulated in nitrogen-doped porous carbon framework as high performance anode material for potassium-ion batteries

Antimony anodes for potassium-ion batteries (PIBs) have garnered considerable scholarly interest owing to their high theoretical specific capacity and low operation potential for alloying with potassium. However, the large volume expansion during alloying in Sb anodes results in rapid capacity fading. Thus, in this study, we proposed a simple, one-step, cost-effective carbothermal reduction method to synthesize a nanostructured Sb encapsulated in an N-doped porous carbon framework (Sb@NPC). The optimized Sb@NPC-2 electrode, which was obtained using a Sb2O3:polyvinylpyrrolidone (PVP) molar ratio of 1:3, offered a high reversible capacity of 587.7 mAh g−1 at 100 mA g−1 over 50 cycles, 492 mAh g−1 at 200 mA g−1 over 100 cycles, and 360.8 mAh g−1 at 800 mA g−1 with a capacity retention of 75.7% over 500 cycles. Even at a high specific current of 4000 mA g−1, the electrode maintained a high reversible capacity of 385 mAh g−1, implying adequate rate capability. In addition, a full cell composed of Sb@NPC-2 anode and KFe[Fe(CN)6⋅xH2O] cathode exhibited excellent cycling stability by showing an exceptional reversible capacity of 432.5 mAh g−1, corresponding to a high capacity retention of 98% over 150 cycles. These excellent results were primarily attributed to the successful encapsulation of nanostructured Sb nanoparticles in the NPC, as well as the formation of a KF-rich solid electrolyte interphase film on the electrode surface. Furthermore, the simulation result based on density functional theory (DFT) revealed that N-doping in the porous carbon framework enhanced the electrical conductivity and Sb−K binding.