Excellent Electronic Conductivity Research Articles

Fast-Charging Carbon Fiber Structural Battery Electrodes Using an Organic Polymer Active Material

Abstract Structural batteries require electrodes with integrated energy storage and load-bearing properties. Adoption of structural batteries can lead to mass and volume savings in electrified transportation and aerospace applications by storing energy within the object’s structural elements. However, to date, active materials investigated in structural batteries exhibit poor rate capabilities at higher C-rates and even worse performance at lower temperatures due to diffusion limitations. Organic radical polymers are promising alternatives because they possess fast-charging properties and good cycling stability. In this work, we integrate an organic radical polymer with carbon fiber (CF) fabric, in which the polymer acts as the active cathode material and the CF fabric possesses excellent tensile strength, modulus and electronic conductivity. At 20°C, the structural cathodes exhibited a reversible capacity of 67 mAh g-1 at 1C-rate and an 88% capacity retention at 25C-rate. Further, these structural electrodes retained more than 50% of their performance at -10°C (versus 20°C). These electrodes were further examined in a full cell containing a graphite-based anode, demonstrating a pathway for utilizing redox-active polymer-based active materials in structural and fast-charging organic batteries.

MoS2-C superlattice cathodes for conductive additive-free sulfide electrolyte-based all-solid-state lithium batteries

Sulfide electrolytes play a crucial role in the pursuit of high-performance all-solid-state lithium batteries (ASSLBs). However, most sulfide electrolytes have intrinsic narrow electrochemical stability windows, and decomposition reactions are thermodynamically favorable, especially contact with conductive additive. These ongoing side reactions accelerate sulfide electrolytes degradation, posing a significant threat to the cycling stability of ASSLBs. Herein, we propose an effective approach to address this challenge by designing a MoS2-C superlattice structure. This architecture, characterized by a layer-by-layer inter-stacking of MoS2 nanosheets and carbon layers, endows it with excellent electronic conductivity and enhanced lithium diffusion kinetics. Leveraging this superlattice, ASSLBs incorporating MoS2-C superlattice as the cathode without conductive additive exhibit a substantial improvement in electrochemical performance, ultimately achieving a conductive additive-free ASSLB. Remarkably, the conductive additive-free ASSLBs based on the MoS2-C superlattice demonstrates outstanding stability, enduring 300 cycles with a capacity retention of 96.8 % at a 1 C rate. This enhancement can be attributed to the improved charge transfer kinetics of MoS2-C superlattice and the effective suppression of side reactions between the sulfide electrolyte and conductive additive. Our study presents a promising design strategy to achieve high-rate performance and tackle long-term challenges in the application of sulfide electrolytes-based ASSLBs.

Layer effects on MXenes electrode and it applied to silicon composite structures

Despite the very high capacity of Si (4200mAh g−1), the widespread application of Si anodes has been hampered by drastic volume changes (up to 300 %) during cycling, leading to electrical contact losses and thus a sharp drop in capacity as the cycle life is shortened. Here we present a class of layered MXene/Si electrodes, which consist of nano-Si embedded in the interlayers of MXene to form a coupling effect, which can inhibit the huge volume change of Si during cycling. Therefore, layered MXene/Si has a highly reversible capacity, much improved cycling performance and excellent mechanical properties. First-principles calculations reveal the excellent electronic conductivity and good diffusion ability of layered MXene/Si, confirming the rapid storage of Li ions. This study provides useful information for the development and production of anode materials with high energy density and good mechanical properties.

The influence of in-situ induced and MnO2 polymorph-dependent structural changes to the energy storage and mechanism of supercapacitors

Due to its economic, environmental, and theoretical advantages, manganese dioxide (MnO2) is a promising cathode material for supercapacitors. However, the commercial application of MnO2 still faces challenges such as low intrinsic conductivity, slow ion diffusion, and structural instability. In this study, four crystalline forms of MnO2 powder electrodes (α-, β-, γ-, and δ-MnO2) were prepared, and results showed that with a specific capacitance of 218.2 F∙g−1, δ-MnO2 exhibited the best electrochemical performance. This was primarily due to the fact that δ-MnO2 possesses a high specific surface area, rich oxygen vacancy, and fast electron-ion transfer speed. A self-supported electrode (δ-MnO2/NF) without binder addition was further prepared using an in-situ-induced technique. The results revealed that the specific capacitance of δ-MnO2/NF was as high as 809.4 F∙g−1 and that the capacity retention rate and coulombic efficiency after 5000 cycles were 92.8 % and 99.2 %, respectively, which were superior to those of δ-MnO2 (80.3 % and 93.5 %). In-situ induction not only amplifies the structural advantages of δ-MnO2 but also generates more electrochemical active sites due to the intense interaction between NF and δ-MnO2. In addition, ultrathin nanosheet arrays formed on the NF provide a three-dimensional conductive network for the transport of ions and electrons. Density functional theory calculations were performed to verify the excellent electronic conductivity and ion diffusivity of δ-MnO2 and showed that transferring electrons from metal Ni to δ-MnO2 is the basis for producing numerous oxygen vacancies in δ-MnO2/NF.

Bimetallic Intercalated Vanadium Oxide As a High-Performance Cathode for Aqueous Zinc Ion Batteries.

In this paper, a bimetallic Na0.13Mg0.02V2O5·0.98H2O (NMVO) material with an interlayer spacing of 11.67 Å was synthesized by a simple preintercalation method as a cathode for zinc ionic batteries (ZIBs). The large layer spacing provides a wide channel for the embedding of Zn2+, resulting in high reversible capacity and ion diffusion kinetics. In addition, by virtue of the high electronic conductivity of metal ions, NMVO exhibits excellent electronic conductivity under the combined action of Na+ and Mg2+ bimetallic intercalation. At the same time, preintercalation ions and structural water act as interlayer pillars to stabilize the layer structure of NMVO during the cycling process. The above reasonable structural design endows the NMVO with excellent electrochemical performance. The battery with NMVO cathode delivers a high initial capacity of 126 mAh g-1 at 10 A g-1, and still remains at 76% after 5000 cycles, providing 100 Wh kg-1 energy density and 9.5 kW kg-1 power density (based on the mass of cathode). This bimetallic intercalation structure provides a general feasible scheme for the design of vanadium-based electrode materials.

Porous carbon prepared by thermal dissolution of coal and biomass for high-performance supercapacitors

Porous carbon materials have been considered a kind of promising materials for supercapacitors due to high specific surface area and excellent electronic conductivity. Soluble portions (SPs) acquired from thermal dissolution of carbon-based raw materials have been used as the carbon source for hierarchical porous carbons (HPC). In this work, mixtures of rice straw and coal at different mass ratios were selected as the raw materials for co-thermal dissolution to obtain SPX. The variation of soluble proportions and subsequent impacts on the electrochemical properties of HPCX were investigated. During thermal dissolution, the addition of rice straw increased the content of nitrogen-containing compounds in SPX. Therefore, the specific capacitance of HPC1/4 is 355 F/g. The specific capacitance of activated carbon material without rice straw is only 299 F/g. The relationship between the molecular characteristics of carbon source and the performance of supercapacitors has been determined. In addition to oxygen-containing compounds, the presence of nitrogen-containing compounds can also lead to a higher electrochemical property for porous carbon materials.

Supercapacitive performance of 3D-cobalt oxide (Co3O4) nanowires grown onto anodized stainless-steel substrate: Effect of anodization time

3D-Co3O4 nanowires were grown on anodized stainless steel (SSA) using a simple hydrothermal technique, with SSA as a cost-effective porous substrate. The originality of this work is to enhance surface activity and material adhesion by anodizing stainless steel (SS). After growth, the nanowires were thermally treated at 400 °C for 2 h. By varying the SS anodization time from 0 to 900s, changes in the structural, morphological, and electrochemical properties of Co3O4 were observed. XRD analysis confirmed the polycrystalline nature of Co3O4 with a face-centered cubic phase. SEM imaging showed noticeable changes in density and surface roughness. Supercapacitive properties were evaluated using cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy (EIS) techniques, with SSANWs-300 exhibiting the highest specific capacitance of 529 Fg-1. Dunn's method was used to analyze the contribution of capacitive and diffusive mechanisms to charge storage. EIS results indicated excellent electronic conductivity. The study suggests that SSANWs-300 holds promise for energy storage applications.

One-Stone-for-Two-Birds Strategy for VSe2 to Enable High Capacity and Long-Life Zinc Storage.

Based on a specific zinc storage mechanism and excellent electronic conductivity, transition metal dichalcogenides, represented by vanadium diselenide, are widely used in aqueous zinc-ion battery (AZIB) energy storage systems. However, most vanadium diselenide cathode materials are presently limited by low specific capacity and poor cycling life. Herein, a simple hydrothermal process has been proposed for obtaining a vanadium diselenide cathode for an AZIB. The interaction of defects and crystal planes enhances zinc storage capacity and reduces the migration energy barrier. Moreover, abundant lamellar structure greatly increases reaction sites and alleviates volume expansion during the electrochemical process. Thus, the as-obtained vanadium diselenide AZIB exhibits an excellent reversible specific capacity of 377 mAh g-1 at 1 A g-1, and ultralong cycle stability of 291 mAh g-1 after 3200 cycles, with a nearly negligible capacity loss. This one-stone-for-two-birds strategy would be expected to be applied to large-scale synthesis of a high-performance zinc-ion battery cathode in the future.

A bifunctional strategy enabling 4.55 V LiCoO2 with improved electrochemical performance

LiCoO2 (LCO) has been functionally modified with electronic conductor of Al doped ZnO (AZO) and ionic conductor of Li3PO4 (LPO). The physicochemical characterization results demonstrated that the hexagonal structured AZO small crystal particles epitaxial growth formed island-like structures on the surface of LCO particles and LPO filled on the surface of remaining exposed LCO particles. Due to the unique composite coating layer with excellent electronic conductivity and Li ion conductivity, the AZO and LPO coated LCO exhibits outstanding rate capability and cycle stability in the voltage range of 2.75–4.55 V. The modified LCO delivered a specific capacity 206 mA h g−1 at 0.5C rate (100 mA g−1), and the capacity retention was 91.7 % after 50 cycles, which was a remarkable improvement comparing with uncoated LCO (34.8 %). Moreover, it exhibited an outstanding rate property, maintaining a discharge capacity of 161.4 mA h g−1 at 4C. This bifunctional strategy with AZO and Li3PO4 is an efficient approach to improve the electrochemical performance of LCO at high cut-off voltage (>4.5 V).

Subacute exposure to black phosphorus quantum dots induces cardiac fibrosis and the potential role of gut microbiota

Black phosphorus quantum dots (BPQDs) have been used as the nano-carrier in the field of biomedicine due to their excellent electronic conductivity, optical and thermoelectric properties. However, it is still lack of evaluation of the safety of BPQDs, specifically on the effects and mechanisms of BPQDs on heart. In this study, the specific pathogen-free male mice were orally administered with different doses of BPQDs (0.02, 0.1, 0.5 mg/kg) for 28 days. BPQDs exposure decreased the heart-body ratio and caused cardiac hypertrophy and fibrosis. Additionally, ferroptosis was observed in the cardiac tissue. The recent study has shown BPQDs oral exposure alter gut microbiota. Here, after exposure to 0.1 mg/kg BPQDs for 28 days, the germ-free mice showed neither cardiac injury nor ferroptosis. Taken together, the study demonstrates that BPQDs induce cardiac ferroptosis and fibrosis, possibly mediated by gut microbiota. This research may aid in enhancing understanding of the biosafety of BP nanomaterials and promoting the sustainable development of nanotechnology.

Uncovering the discharge structure evolution and electrochemical performance of sulfur cathode host 2D-Fe0.89M0.11S2 (M = Ti, V)

The sulfur cathode host materials with excellent electronic conductivity and catalytic performance are the key to highly efficient Li-S redox chemistry for the lithium‑sulfur batteries (LSBs). Although 2D-FeS2 as sulfur cathode host shows high theoretical capacity and flat voltage plateaus, the Li-S redox chemical reaction mechanism is still unclear. By using the first-principles calculations, the formation energy, working voltage, theoretical capacity, electronic conductivity, adsorption performance, electrocatalytic mechanism, Li+ diffusion and Li2S decomposition barrier of 2D-FeS2 and M (M = Ti, V) doped 2D-FeS2 are investigated to evaluate its physicochemical properties. 2D-Fe0.89M0.11S2 is thermodynamically stable due to its low lattice distortion, formation energy and mixing enthalpy. The charging voltage of 2D-Fe0.89Ti0.11S2 is better than that of 2D-Fe0.89V0.11S2, but the charging voltage step is reversed. The electrical conductivity of 2D-Fe0.89M0.11S2 is superior to 2D-FeS2. The closer the highest molecule occupied orbitals is to the Fermi level, the lower the discharge voltage will be. 2D-Fe0.89V0.11S2 and its discharge structure 2D-Li2Fe0.89V0.11S2 improve the efficiency of catalytic reduction of Li2S4. 2D-Fe0.89V0.11S2 has low Li+ diffusion and decomposition barrier of Li2S, which has potential application value in promoting the Li-S redox chemistry. This work deepens the understanding of the doping strategy and provides theoretical guidance for the design and development of sulfur cathode host to improve the Li-S redox chemistry.

Strong cathode electroluminescence biosensor based on CeO2 functionalized PCN-222@Ag NPs for sensitive detection of p-Tau-181 protein

Electrochemiluminescence (ECL) biosensors provide a convenient and high sensitivity method for early disease diagnosis. However, creating luminophore arrays relying on powerful ECL signals remains a daunting task. Porphyrin-centered metal organic frameworks (MOFs) exhibit remarkable potential in ECL sensing applications. In this paper, based on a simple one-pot synthesis method, PCN-222@Ag NPs doped with CeO2 was synthesized to enhance the ECL performance. Due to the strong catalytic ability of CeO2, the ECL signal strength of the new material PCN-222@CeO2@Ag NPs is much higher than that of the PCN-222@Ag NPs and PCN-222. The luminous properties of PCN-222@CeO2@Ag NPs become more intense and stable due to the excellent electronic conductivity of Ag NPs. Based on the fact that CuS@PDA composite can quench the ECL signal of PCN-222@CeO2@Ag NPs, we constructed a novel sandwich ECL immune sensor for the detection of phosphorylated Tau 181 (p-Tau-181) protein. The ECL sensor has a great linear relationship with p-Tau-181 protein concentration, ranging from 1 pg/mL to 100 ng/mL. The detection limit is as low as 0.147 pg/mL. This work provides new ideas for developing sensitive ECL sensors for the p-Tau-181 protein, the marker of Alzheimer's disease.

Reconfiguration of the charge density difference of nitrogen-doped graphene by covalently bonded Cu-N4 active sites boosting thermodynamics and performance in aprotic Li-CO2 battery

The slow kinetics of the CO2 reduction and evolution reactions in the Li-CO2 battery result in a high overpotential, low energy efficiency and undesired life. Exploring the durable electrocatalysts with high activity for CO2 reduction and evolution processes in aprotic Li-CO2 batteries is of great significance for CO2 capture and utilization. Herein, single-atom copper uniformly anchored on nitrogen-doped graphene (SA-Cu-NG) was demonstrated as a durable catalyst for the rechargeable Li-CO2 battery. The resulting Li-CO2 battery shows a remarkable specific capacity of 29033 mAh g−1 at 100 mA g−1, an ultra-long life up to 538 cycles (over 2730 h), and a low overpotential of 1.47 V (1000 mA g−1), outperforming the reported Li-CO2 batteries. The X-ray absorption fine structure analysis of SA-Cu-NG unravels that the covalent effect between Cu and N, which exists in the form of Cu-N4 in nitrogen-doped graphene. Further, it is theoretically elucidated that the covalent effect of Cu-N4 leads to the reconfiguration of the charge density difference on nitrogen-doped graphene, thereby improving the adsorption of CO2 and weakening the decomposition barrier of the discharge products on the surface single-atom copper, thus optimizing the nucleation decomposition process. In conclusion, the exceptional performances of Li-CO2 battery are attributed to the superior catalytic activity on Cu-N4 sites and the excellent electronic conductivity of nitrogen-doped graphene, activating the reversible process of discharge product formation and decomposition.

First-Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li-Ion Batteries.

New two-dimensional (2D) transition-metal borides have attracted considerable interest in research on electrode materials for Li-ion batteries (LIBs) owing to their promising properties. In this study, 2D molybdenum boride (Mo2 B2 ) with and without transition metal (TM, TM=Mn, Fe, Co, Ni, Ru, and Pt) atom doping was investigated. Our results indicated that all TM-doped Mo2 B2 samples exhibited excellent electronic conductivity, similar to the intrinsic 2D Mo2 B2 metal behavior, which is highly beneficial for application in LIBs. Moreover, we found that the diffusion energy barriers of Li along paths 1 and 2 for all TM-doped Mo2 B2 samples are smaller than 0.30 and 0.24 eV of the pristine Mo2 B2 . In particular, for 2D Co-doped Mo2 B2 , the diffusion energy barriers of Li along paths 1 and 2 are reduced to 0.14 and 0.11 eV, respectively, making them the lowest Li diffusion barriers in both paths 1 and 2. This indicates that TM doping can improve the electrochemical performance of 2D Mo2 B2 and that Co-doped Mo2 B2 is a promising electrode material for LIBs. Our work not only identifies electrode materials with promising electrochemical performance but also provides guidance for the design of high-performance electrode materials for LIBs.

Core‐shell Ni/NiO heterostructures as catalytic cathodes enabling high‐performance zinc bromine flow batteries

AbstractZinc bromine flow batteries (ZBFBs) are well suited for stationary energy storage due to their attractive features of high energy density and low cost. Nevertheless, the ZBFBs suffer from low power density and limited efficiency owing to the relatively severe polarization of the Br2/Br− redox couple. Herein, a three‐dimensional (3D) hierarchical composite electrode based on core‐shell Ni/NiO heterostructures anchored on graphite felt (Ni/NiO@GF) is designed to promote the kinetics of the Br2/Br− couple, so as to improve the power density and efficiency of the ZBFB. In this design, the highly conductive carbon felt and Ni cores provide a composite electrode with a 3D electron transporting framework to guarantee excellent electronic conductivity, while the NiO shells possess great absorption ability to Br2 and brilliant catalytic activity for the Br2/Br− redox reaction to reduce the electrochemical polarization. As a result, an enhanced ZBFB with Ni/NiO@GF electrode shows an outstanding energy efficiency of 86% at 20 mA cm−2 and can be operated at a current density of up to 160 mA cm−2 with a respectable energy efficiency of 67%. These results exhibit a promising strategy to fabricate catalytic electrodes for high‐performance ZBFBs.

FeNi nanoalloy-carbon nanotubes on defected graphene as an excellent electrocatalyst for lithium-oxygen batteries

Lithium-oxygen batteries (LOBs) promise high energy density but suffer from catalyst-related issues. We've developed FeNi-NCNT/DrGO, a novel catalyst, by integrating iron-nickel nanoalloys (FeNi) embedded in nitrogen-doped carbon nanotubes (NCNTs) grafted onto defect-rich reduced graphene oxide (DrGO). The fabrication involved freeze-drying, defect engineering, and thermal treatments. The FeNi nanoalloy within the catalyst demonstrates outstanding bifunctional activity, while the NCNTs serve as an excellent electronic conduction medium and DrGO enables favorable ion transport. The 3D open-space architecture of this catalyst provides a rapid diffusion path for the electrolyte and room for accommodating discharge products. As a result, the LOBs with FeNi-NCNT/DrGO exhibits exceptional electrochemical performance, achieving a deep discharge capacity of 21,153.6 mAh g−1 and a high round-trip efficiency of 98.7% at 200 mA g−1. Moreover, it demonstrates excellent cycling stability, exceeding 100 cycles at 200 mA g−1 with a cut-off capacity of 500 mAh g−1.

NiCo2O4/MXene Hybrid as an Efficient Bifunctional Electrocatalyst for Oxygen Evolution and Reduction Reaction

AbstractFor the advancement of electrochemical energy conversion and storage technologies, bifunctional electrocatalysts are crucial for efficiently driving both the oxygen evolution (OER) and reduction reactions (ORR). Cobalt‐based spinel oxides are a class of promising bifunctional electrocatalysts. However their low electrical conductivity and stability may hinder further improvement. A novel composite material composed of NiCo2O4 nanoparticles integrated with emerging two dimensional MXene nanosheets (NiCo2O4/MXene) was developed. The successful integration of NiCo2O4 with MXene brings about a number of attractive structural features. This includes synergistic effects between NiCo2O4 and MXene, highly accessible surface areas, complete exposure of numerous active sites, and excellent electronic conductivity, all of which collectively contribute to the desirability of composite material for OER and ORR. The synthesized NiCo2O4/MXene composite showed extraordinary OER electrocatalytic activity with a lower overpotential of 360 mV at a current density of 10 mA/cm2, and a small Tafel slope of 64 mV/dec compared to NiCo2O4, MXene and NiCo2O4+MXene (physically mixed). Additionally, NiCo2O4/MXene displays an ORR limiting current density of −4 mA/cm2 and exhibited highest onset potential and half wave potential of 0.92 V and 0.72 V vs. RHE, respectively, for the ORR in alkaline media compared to NiCo2O4, MXene and NiCo2O4+MXene (physically mixed).

Ti3C2Tx MXene/carbon composites for advanced supercapacitors: Synthesis, progress, and perspectives

AbstractMXenes are a family of two‐dimensional (2D) layered transition metal carbides/nitrides that show promising potential for energy storage applications due to their high‐specific surface areas, excellent electron conductivity, good hydrophilicity, and tunable terminations. Among various types of MXenes, Ti3C2Tx is the most widely studied for use in capacitive energy storage applications, especially in supercapacitors (SCs). However, the stacking and oxidation of MXene sheets inevitably lead to a significant loss of electrochemically active sites. To overcome such challenges, carbon materials are frequently incorporated into MXenes to enhance their electrochemical properties. This review introduces the common strategies used for synthesizing Ti3C2Tx, followed by a comprehensive overview of recent developments in Ti3C2Tx/carbon composites as electrode materials for SCs. Ti3C2Tx/carbon composites are categorized based on the dimensions of carbons, including 0D carbon dots, 1D carbon nanotubes and fibers, 2D graphene, and 3D carbon materials (activated carbon, polymer‐derived carbon, etc.). Finally, this review also provides a perspective on developing novel MXenes/carbon composites as electrodes for application in SCs.

Controllable Synthesis of Flower-like Hierarchical CuCo2S4 Nanostructure Arrays for High-Performance Hybrid Supercapacitors

Transition metal sulfides (TMSs) are considered as attractive materials in the areas of energy storage because of their unique redox properties, excellent electronic conductivity, as well as environmental friendliness. However, poor cyclic stability and limited electrochemical active sites hinder their further application. To address this issue, a flower-like hierarchical CuCo2S4 structure is constructed by a two-step hydrothermal method. In this nanostructure, CuCo2S4 grows outward to form a tightly bound hierarchical structure on the nickel foams (NFs). This oriented structure can provide more laminar gaps for electrolyte ion diffusion, exposing more reaction sites to increase the ion transport efficiency between the layers, reducing the ion transport resistance and improving the reaction kinetics. Thus, the CuCo2S4 electrode exhibits excellent energy storage performance, exhibiting a high specific capacity of 1415.6 F g−1 at 1 A g−1. After 10,000 cycles of 10 A g−1, it still has 91.9% of the initial performance. In addition, an asymmetrical supercapacitor (ASC) was constructed by choosing CuCo2S4 as the anode and RGO as the cathode, which has the maximum energy density (61.8 Wh Kg−1) at 812.1 W Kg−1 and significant cycling endurance (92.05% retention) at 10,000 turns. Briefly, the researchers successfully constructed an array of CuCo2S4 flower-like hierarchical nanostructures and confirmed their potential application in supercapacitors.

Ultra‐Low 4.3 wt% Silicon Thermal Reducing Doped Porous Si@MoC as Highly Capable and Stable Li‐Ion Battery Anode

AbstractSilicon is a promising anode material in lithium‐ion batteries (LIBs) for its ultra‐high theoretical capacity; however, its large volume expansion and low electrical conductivity trigger capacity degradation and poor stability. Herein, an ultra‐low 4.3 wt% Si‐doped porous MoC (p‐Si@MoC) is constructed by a facile thermal reduction on a core‐shelled precursor of ZnMo‐hybrid zeolitic imidazole framework (HZIF‐ZnMo) coated by tetraethyl orthosilicate (TEOS), delivering a high capacity and superior cycling stability (976.6 mAh g−1 after 250 cycles at 0.2 A g−1) in LIBs. The homogeneous distribution in the porous MoC matrix contributes to its maximum capacity utilization. Meanwhile, the porous substrate enhances Li ion transport kinetics and reduced the volume expansion of Si. The excellent electronic conductivity of p‐Si@MoC is revealed by the density functional theory (DFT) calculations. The Mo─Si bonds formed by Si‐doped in the MoC matrix are verified by X‐ray absorption near‐edge structure (XANES) and extended X‐ray absorption fine structure (EXAFS). Moreover, the in situ X‐ray diffraction (in situ XRD) reveals the lithium storage mechanism. This work presents an excellent structural design and synthesis strategy for high‐performance silicon‐based anode materials.