Anode Material For Lithium-ion Batteries Research Articles

Molten salt assisted synthesis of Si/C nanocomposite derived from palygorskite and sodium alginate for electrochemical lithium storage.

Silicon/carbon (Si/C) nanocomposites are considered as one of the most promising anode materials for lithium-ion batteries due to their high capacity and suitable lithiation potential. However, the complex and time-consuming preparation processes of silicon-based nanocomposites and the unexpected silicon carbide generated during high treatment make it difficult to achieve high-performance Si/C nanocomposites for practical applications. Herein, a silicon/carbon nanocomposite is successfully prepared through a facile and eco-friendly molten salt assisted precarbonization-reduction method using palygorskite (PAL) and sodium alginate as raw materials. Based on physical characterizations, it is demonstrated that the sodium alginate plays a key role in the successful preparation of Si/C nanocomposite, which not only boosts uniform embedding of PAL nanoparticles in the carbon matrix but also releases molten sodium salt to suppress the formation of unexpected SiC. When used as an alternative anode material for lithium-ion battery applications, the as-obtained Si/C composite delivers a high reversible specific capacity of 1362.7 mA h g-1 with an initial Coulombic efficiency of 70.3% at a current density of 200 mA g-1 and excellent long-term cycling stability. The findings here provide a facile and eco-friendly molten salt assisted precarbonization-reduction method for high-performance silicon/carbon anode materials.

N, P co-Doped Hard Carbon Anodes for High-Performance Lithium-Ion Batteries with Enhanced Capacity Retention and Cycle Stability.

Compared to the traditional graphite anode, heteroatom-doped polymer carbon materials have high capacity retention due to their high porosity and porous structure. Therefore, they have great potential for application in lithium-ion battery (LIB) anodes. In this work,an N, P co-doped precursor polymer material (MBPp), synthesized via a one-pot method using bisphenol-A (C-source), melamine (N-source), and 9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (P-source). The resulting N, P-co-doped hard carbon materials (MBPs) were prepared at various pyrolysis temperatures, yielding microporous, mesoporous, and macroporous structures. MBP materials demonstrated excellent electrochemical performance as LIB anodes. Notably, MBP-900 achieved a reversible capacity of 262 mAh g-1 at 1000 mA g-1 (in 0.005-2.0 V voltage range) with a capacity retention rate of 97.2% after 1000 cycles. These findings highlight the significance of MBP materials, which possess numerous defects, large layer gaps, and excellent cycle stability, in advancing the development of polymer anode materials for LIBs.

A DFT Study of Band-Gap Tuning in 2D Black Phosphorus via Li+, Na+, Mg2+, and Ca2+ Ions

Black phosphorus (BP) and its two-dimensional derivative (2D-BP) have garnered significant attention as promising anode materials for electrochemical energy storage devices, including next-generation fast-charging batteries. However, the interactions between BP and light metal ions, as well as how these interactions influence BP’s electronic properties, remain poorly understood. Here, we employed density functional theory (DFT) to investigate the effects of monovalent (Li+ and Na+) and divalent (Mg2+ and Ca2+) ions on the valence electronic structure of 2D-BP. Molecular orbital analysis revealed that the adsorption of divalent cations can significantly reduce the band gap, suggesting an enhancement in charge transfer rates. In contrast, the adsorption of monovalent cations had minimal impact on the band gap, suggesting the preservation of 2D-BP’s intrinsic electrical properties. Energetic and charge analyses indicated that the extent of charge transfer primarily governs the ability of ions to modulate 2D-BP’s electronic structure, especially under high-pressure conditions where ions are in close proximity to the 2D-BP surface. Moreover, charge polarization calculations revealed that, compared with monovalent cations, divalent cations induced greater polarization, disrupting the symmetry of the pristine 2D-BP and further influencing its electronic characteristics. These findings provide a molecular-level understanding of how ion interactions influence 2D-BP’s electronic properties during ion-intercalation processes, where ions are in close proximity to the 2D-BP surface. Moreover, the calculated diffusion barrier results revealed the potential of 2D-BP as an effective anode material for lithium-ion, sodium-ion, and magnesium-ion batteries, though its performance may be limited for calcium-ion batteries. By extending our understanding of interactions between ions and 2D-BP, this work contributes to the design of efficient and reliable energy storage technologies, particularly for the next-generation fast-charging batteries.

Exploring the potential of MXene nanohybrids as high-performance anode materials for lithium-ion batteries

Lithium-ion batteries (LIBs) are an integral part of modern life, powering diverse applications from transportable devices to electric vehicles. Efficacy of LIBs depends on the performance of their components with anode material playing the pivotal role. Traditional graphite anodes have limitations in capacity and rate capability. This review comprehensively discusses utilization of MXene-based composites as anode materials in LIBs. MXene composites exhibit versatile lithium storage mechanisms, involving intercalation and/or conversion reactions. Pure MXenes offer advantages of high capacity and cycling stability having challenges due to limited conductivity and mechanical fragility, restricting their practical utility, thereby affecting their performance in solid-state polymer electrolytes (SPEs). MXene composites overcome unsystematic dispersal and accumulation issues of pure MXene. MXenes in composite form could increase LIBs performance by overcoming limitations of pure MXenes, enabling breakthroughs in energy storage. The review covers different MXene composites viz., MXene/graphene, MXene/silicon, MXene/tin, MXene/carbon, MXene/metal oxide, and MXene/conducting polymer providing a holistic overview. Their performance, cycling stability, and rate capability are discussed to cover challenges and future prospects.

Preparation of Fe2O3 nanoparticles with ultrathin carbon covered as lithium storage anodes

This study focuses on the development of ultrathin carbon (UTC) treated with Fe2O3 nanoparticles as anode materials for lithium-ion batteries (LIBs). Here, a simple hydrothermal method has been adopted to prepare Fe2O3@C nanocomposite, followed by annealing. The obtained Fe2O3@C demonstrates Fe2O3 nanoparticles (NPs) with uniform carbon, which effectively mitigates volume expansion and enhances electrochemical performance. Encouraging, the first principal calculations ensure that carbon doping in Fe2O3 can notably reduce the band gap from 2.12 to 1.10 eV and enhance electronic conductivity.

Fast kinetics for lithium storage rendered by Li3VO4 nanoparticles/porous N-doped carbon nanofibers

Li3VO4 (LVO) has been recognized as an alternative anode material for lithium-ion batteries (LIBs) because of its appropriate lithium storage potential and capacity merits. However, its practical application is seriously hindered by slow reaction kinetics stemming from poor electronic conductivity. Herein, Li3VO4/porous N-doped carbon nanofibers (LVO/PNC NFs) are firstly designed and fabricated via an electrospinning method, utilizing the thermal decomposition characteristics of polylactic acid (PLA). The porous N-doped carbon nanofibers provide efficient electrolyte diffusion paths and facilitate ion transport. In addition, LVO nanoparticles are uniformly dispersed along the nanofibers to effectively inhibit particle aggregation. The obtained LVO/PNC NFs are evaluated as anodes for LIBs and deliver high reversible capacity of 768 mAh g−1 after 300 cycles at 0.2 A g−1, along with excellent rate capability (average capacity of 355 mAh g−1 at 8 A g−1 after 6 periodic rate testing) and long cycling life (286 mAh g−1 after 2000 cycles at 4 A g−1). The special porous nanofiber represents an effective strategy for improving the electronic conductivity, inhibiting particle aggregation, and ensuring rapid ion/charge transport towards advanced energy storage technologies.

Structural regulation of 1T-MoS2/Graphene composite materials for high-performance lithium-ion capacitors

Heterogeneous composite structures are considered an effective strategy by utilizing the advantages of heterogeneous components. However, the relationship between structural modifications and electrochemical performance remains inadequately understood. In this study, we leveraged DFT calculations to elucidate the key advantages of the 1T-MoS2/Gr heterostructure, including its exceptional electrical conductivity, enhanced Li+ adsorption capabilities, and improved Li+ diffusion kinetics. To synthesize the 1T-MoS2/Gr composite, we developed a facile, one-step hydrothermal method using glucose as a reducing agent, achieving an optimal heterostructure that maximized the synergistic properties of the components. By comparing different levels of graphene content, the relationship between structural regulation and electrochemical performance has been studied, and a remarkably significant heterostructure composite material (1T-MoS2/Gr-0.8) was identified. As the anode material for lithium-ion batteries (LIBs), 1T-MoS2/Gr-0.8 presents excellent cycle performance with 467 mAh g−1 under the condition (0.5 A g−1, 600 cycles). Simultaneously, when assembling the lithium-ion capacitor (LIC) device with an activated carbon (AC) cathode, even at a high power density of 11.7 kW kg−1, the energy density of the 1T-MoS2/Gr-0.8//AC LIC is as high as 137.0 Wh kg−1. Moreover, the capacity retention rate remains at 89.9 % even after 2000 cycles at 2 A g−1, demonstrating its candidacy as a high-performance anode material for LICs.

Electrochemical performance of three-dimensional porous Sn/Cu3Sn/CuO/SnO composite as anode material for lithium-ion batteries

Sn is used as an anode material in lithium-ion batteries due to its high theoretical capacity, conductivity, and safety. However, due to the huge volume change during charging and discharging, it suffers serious mechanical degradation, and the capacity rapidly decays. In this study, a simple and feasible strategy was used to electroplate Sn on Cu foam, followed by heat treatment to obtain Sn composite anodes (Sn/Cu3Sn/CuO/SnO). The composite anode served to mitigate the volumetric expansion that was a consequence of the lithiation–delithiation process. It also prevented electrode pulverization and ensured that the overall integrity of the electrode was maintained, thereby enhancing its electrochemical performance. The capacity of the electrode reached 653.56 mAh/g at a current density of 0.2 C after 300 charge-discharge cycles. Thus, the prepared composite materials had a high capacity and long-term cyclic stability.

Devitrified Silica Minerals Glass of Tanohataite (LiMn2Si3O8F) Mineral as Anode Material for Lithium-ion Batteries

Devitrified Silica Minerals Glass of Tanohataite (LiMn2Si3O8F) Mineral as Anode Material for Lithium-ion Batteries

Nano ZnO modified amorphous carbon materials enabling long-cycle performance and high-capacity for lithium/sodium-ion batteries

Zinc-modified carbon materials exhibit high specific capacity, good safety, and low self-discharge, making them promising anode materials for lithium-ion and sodium-ion batteries. However, the high cost of raw materials, complex fabrication processes, and limited cycle life remain significant challenges to their further development. In this study, we elucidated a two-step process, simple in technique and suitable for large-scale production, for in-situ zinc modification of amorphous carbon. The synthesized carbon material exhibited superior reversible specific capacity (maintaining 780.27 mAh·g−1 capacity after 80 cycles at 50 mA·g−1 current density), high cycling stability (maintaining Coulombic efficiency at 100.06 % after 15,000 cycles at 10 A·g−1 current density), and good application value (achieving a capacity of 89.67 mAh·g−1 after 1000 cycles at 200 mA·g−1 current density for the assembled MFAC-Zn||NVP full cell). Through our investigation, we discovered that Nano ZnO not only directly participate in electrochemical reactions but also effectively improve the microstructure of amorphous carbon, increasing its three-dimensional axial stacking and providing more reaction sites. The enrichment of open pores significantly enhances the diffusion efficiency of ions within the carbon-based matrix. The superior diffusion ability of alkali metal-ion in the electrode is the reason for the excellent electrochemical performance of Zinc-modified amorphous carbon. Moreover, the incorporation of Nano ZnO aids in the formation of a robust and thin SEI layer. This significantly enhances the stability of the electrode materials during cycling and improves charge transfer efficiency during the charge-discharge process. Our study provides a new strategy for adjusting the internal microstructure of amorphous carbon materials to achieve high-performance lithium/sodium storage.

Machine learning-assisted DFT-prediction of pristine and endohedral doped (O and Se) Ge12C12 and Si12C12 nanostructures as anode materials for lithium-ion batteries

Nanostructured materials have gained significant attention as anode material in rechargeable lithium-ion batteries due to their large surface-to-volume ratio and efficient lithium-ion intercalation. Herein, we systematically investigated the electronic and electrochemical performance of pristine and endohedral doped (O and Se) Ge12C12 and Si12C12 nanocages as a prospective negative electrode for lithium-ion batteries using high-level density functional theory at the DFT/B3LYP-GD3(BJ)/6-311 + G(d, p)/GEN/LanL2DZ level of theory. Key findings from frontier molecular orbital (FMO) and density of states (DOS) revealed that endohedral doping of the studied nanocages with O and Se tremendously enhances their electrical conductivity. Furthermore, the pristine Si12C12 nanocage brilliantly exhibited the highest Vcell (1.49 V) and theoretical capacity (668.42 mAh g− 1) among the investigated nanocages and, hence, the most suitable negative electrode material for lithium-ion batteries. Moreover, we utilized four machine learning regression algorithms, namely, Linear, Lasso, Ridge, and ElasticNet regression, to predict the Vcell of the nanocages obtained from DFT simulation, achieving R2 scores close to 1 (R2 = 0.99) and lower RMSE values (RMSE < 0.05). Among the regression algorithms, Lasso regression demonstrated the best performance in predicting the Vcell of the nanocages, owing to its L1 regularization technique.

In situ catalyzed growth of carbon nanotube with asphalt cladding as a bicarbon synergistic framework of silicon anodes for lithium-ion batteries.

Silicon, as the most promising advanced anode material for lithium-ion batteries, faces challenges in large-scale industrial production due to the significant volume expansion effect. In this investigation, Si/CNTs/C composite materials were effectively produced through high-temperature carbonization utilizing asphalt, silicon, hexahydrate ferric chloride, and melamine as primary elements. The distinctive dual-carbon framework of asphalt-derived carbon and carbon nanotubes alleviates the volume expansion of silicon, thereby stabilizing the composite material's structure. Testing the electrochemical performance reveals that the Si/CNTs/C composite material exhibits a reversible specific capacity of 1187 mAh g-1 with a capacity retention rate of 92.6% after 150 cycles at a current density of 0.2 A g-1. Even after 500 cycles at a current density of 1 A g-1, it sustains a specific capacity of 879.4 mAh g-1 with a capacity retention rate of 87.9%, showcasing outstanding electrochemical performance.

Unveiling BaTiO3-SrTiO3 as Anodes for Highly Efficient and Stable Lithium-Ion Batteries

Amidst the swift expansion of the electric vehicle industry, the imperative for alternative battery technologies that balance economic feasibility with sustainability has reached unprecedented importance. Herein, we utilized Perovskite-based oxide compounds barium titanate (BaTiO3) and strontium titanate (SrTiO3) nanoparticles as anode materials for lithium-ion batteries from straightforward and standard carbonate-based electrolyte with 10% fluoroethylene carbonate (FEC) additive [1M LiPF6 (1:1 EC: DEC) + 10% FEC]. SrTiO3 and BaTiO3 electrodes can deliver a high specific capacity of 80 mA h g−1 at a safe and low average working potential of ≈0.6 V vs. Li/Li+ with excellent high-rate performance with specific capacity of ~90 mA h g−1 at low current density of 20 mA g−1 and specific capacity of ~80 mA h g−1 for over 500 cycles at high current density of 100 mA g−1. Our findings pave the way for the direct utilization of perovskite-type materials as anode materials in Li-ion batteries due to their promising potential for Li+ ion storage. This investigation addresses the escalating market demands in a sustainable manner and opens avenues for the investigation of diverse perovskite oxides as advanced anodes for next-generation metal-ion batteries.

Advances in the Application of Graphene in Lithium-ion Batteries

The search for effective energy storage options has escalated due to the rising global energy demands and environmental concerns. Lithium-ion batteries (LIBs) emerge as a key technology. However, the performance of traditional LIBs still needs to be improved. Therefore, choosing new nanomaterials for the modification of LIBs has become an effective solution. Graphene, as a nanomaterial, is an excellent candidate material for modification. This paper delves into the application of graphene in enhancing the performance of LIBs. Graphene, with its superior electrical conductivity and substantial specific surface area, offers the potential to enhance the performance of both anode and cathode materials in LIBs. This can lead to significant improvements in the overall cycle life, energy density, and power density of these batteries. This work emphasizes the application of graphene in cathode and anode materials. In cathode materials, the layered structure of graphene enables lithium-ion with high theoretical capacity. Meanwhile, graphene helps improve the electron and lithium ion mobility of anode materials. Despite the promising developments, challenges such as lithium loading capacity and coulombic efficiency still remain. The continued exploration of graphene applications is expected to drive LIBs to unprecedented performance metrics. This is in line with the global quest for sustainable and efficient energy storage technologies.

A Facile Two-Step Utilization of Sorghum Waste Derived Activated Carbon

Sorghum (Sorghum bicolor (L.) Moench) is an agricultural commodity that produces waste, including stems, during its cultivation. Sorghum stems can be used as an alternative precursor for forming activated carbon (AC) with a high surface area by utilizing ZnCl2 as an activator and followed by a pyrolysis process at 750 °C under N2 gas. In this study, AC from sorghum stems was sequentially used as an adsorbent for heavy metals in wastewater, as well as applied as an anode material for lithium-ion batteries. From the characterization analysis, the synthesized AC has an amorphous structure, a high carbon content of &gt; 90%, and a surface area of 1189 m2/g. AC was applied to adsorb 10, 50, and 100 ppm of metal cobalt (Co) at 30 °C. The adsorption isotherm and kinetics of metal Co showed an adsorption capacity of around 28.2 mg/g. The Langmuir isotherm model also describes Co adsorption and follows the pseudo-first-order equation. As for the Li-ion anode material, the ACs material is fabricated on a cylindrical battery with LiNi0.8Co0.1Mn0.1O2 as the counter cathode material. The specific discharge capacity results are 104 mAh/g at the voltage window of 2.7-4.3 V. The sequential utilization of sorghum stem-derived activated carbon can improve the product’s sustainability, and such an approach is promising to be applied in other biomass-based waste treatments.Keywords: Activated carbon, adsorption, battery, biomass, sorghum

Machine learning descriptors for crystal materials: applications in Ni-rich layered cathode and lithium anode materials for high-energy-density lithium batteries

Lithium batteries have revolutionized energy storage with their high energy density and long lifespan, but challenges such as energy density limitations, safety, and cost still need to be addressed. Crystalline materials, including Ni-rich cathodes and lithium anodes, play pivotal roles in the performance of high-energy-density lithium batteries. Understanding the micro-scale behavior and degradation mechanisms of these materials is crucial for improving macro-scale battery performance. Simulation methods, particularly machine learning (ML) techniques, have become indispensable tools in elucidating these intricate processes because of great efficiency and acceptable accuracy. ML methods depend on descriptors, which bridge the gap between crystal structures and input matrices of models. These descriptors encode essential atomic-level details in crystal structures, enabling predictions of material properties and behaviors relevant to lithium batteries. This paper reviews and discusses the diverse array of descriptors employed in the simulation of crystalline materials for lithium batteries with high energy density. Case studies highlight the effectiveness of different descriptors in simulating cathode behaviors such as Li/Ni disordering, screening of stable LiNi0.8Co0.1Mn0.1O2 (NMC811) configurations, and lithium deposition behaviors at the anode interface. The discussed descriptors can also be applied to other crystalline cathode, anode, and electrolyte materials in lithium batteries and advance the development of lithium batteries with superior energy density.

Very High-Capacity Li/Na-Ion battery anodes Enabled by Blue phosphorene and boron phosphide vdW heterostructure

The fascinating features of van der Waals heterostructure (vdWH) based electrodes and their potential to overcome the limiting properties of single-material systems have sparked a great deal of scientific attention. In this study, we investigate the potential of a blue phosphorene/boron phosphide (Blue-P/BP) vdWH as an anode material for both lithium-ion (Li-ion) and sodium-ion (Na-ion) batteries using first-principles calculations. We suggest that this vdWH could act as an effective anode material for metal-ion batteries, due to their high theoretical capacity and strong binding strength. Intriguingly, the theoretical specific capacity exhibits remarkable values, notably reaching 4510 mAhg−1 for Li and 3849 mAhg−1 for Na, which surpasses all capacities reported in the existing literature. Additionally, electronic structure calculations reveal a significant charge transfer that enhances the metallic characteristics, thereby increasing electrical conductivity. As we delve deeper into the electronic structure and calculate diffusion barriers and pathways, we observe that ionic diffusion (∼0.12/0.11 eV) is notably rapid compared to graphitic anodes (∼0.2 eV). We also found that intercalating Li/Na atoms in the Blue-P/BP vdWH results in low operating potentials of 0.38 V for Li and 0.34 V for Na. This research highlights the substantial enhancement of electrochemical performance of Blue-P/BP vdWH and holds great promise as high-power-density anode materials for Li/Na-ion batteries, facilitating rapid charge and discharge rates.

Enhancing lithium storage performance of Carbon/SiOx composite via coating edge-nitrogen-enriched carbon

Silicon oxide (SiOx) exhibits promising potential as a lithium-ion battery anode. However, its practical application is impeded by low electrical conductivity and significant volumetric expansion. To overcome these limitations, we developed a novel co-precipitation and selectively etching approach that leveraged the nitrogen-retaining effect of ZnNCN to prepare an edge-nitrogen-enriched carbon/SiOx composite (NEC@LC-SiOx). This NEC@LC-SiOx showed enhanced electrical conductivity and reduced volumetric expansion. Our innovative approach effectively prevented excessive decomposition of nitrogen species, resulting in a high nitrogen doping content of 21.67 at.% while maintaining a stable structure and mitigated volume expansion during charging and discharging. Consequently, the prepared NEC@LC-SiOx exhibited excellent performance as an anode material for lithium-ion batteries, demonstrating a high reversible specific capacity of 802 mAh/g and outstanding rate capability. This work presents a novel strategy for designing high-performance SiOx anode materials.

Tuning Work Function of Fe2N@C Nanosheets by Co Doping for Enhanced Lithium Storage.

Transition metal nitrides (TMNs) with high theoretical capacity and excellent electrical conductivity have great potential as anode materials for lithium-ion batteries (LIBs), but suffer from poor rate performance due to the slow kinetics. Herein, taking the Fe2N for instance, Co doping is utilized to enhance the work function of Fe2N, which accelerates the charge transfer and strengthens the adsorption of Li+ ions. The Fe2N nanoparticles with various Co dopants are anchoring on the surface of honeycomb porous carbon foam (named Cox-Fe2N@C). Co-doping can enlarge the work function of pristine Fe2N and thereby optimize the charging/discharging kinetics. The work function can be increased from 5.23eV (pristine Fe2N) to 5.67eV for Co0.3-Fe2N@C and 5.56eV for Co0.1-Fe2N@C. As expected, the Co0.1-Fe2N@C electrode exhibits the highest specific capacity (673mA h g-1 at 100mA g-1) and remarkable rate capability (375mA h g-1 at 5000mA g-1), outperforming most reported TMNs electrodes. Therefore, this work provides a promising strategy to design and regulate anode materials for high-performance and even commercially available LIBs.

Facile One-Pot Synthesis of Fe3O4 Nanoparticles Composited with Reduced Graphene Oxide as Fast-Chargeable Anode Material for Lithium-Ion Batteries.

To address the rapidly growing demand for high performance of lithium-ion batteries (LIBs), the development of high-capacity anode materials should focus on the practical perspective of a facile synthetic process. In this work, iron oxide nanoparticles (Fe3O4 NPs) in situ grown on the surface of reduced graphene oxide (rGO), denoted as Fe3O4 NPs@rGO, were prepared through a facile one-pot synthesis under the wet-colloidal conditions. The synthesized Fe3O4 NPs showed that uniform Fe3O4 NPs, with a size of around 9 nm, were distributed on the rGO surfaces. When applied as an anode material for LIBs, the Fe3O4 NPs@rGO anode revealed a high reversible capacity of 1191 mAh g-1 at 1.0 A g-1 after 200 cycles. It also exhibited excellent rate performance, achieving 608 mAh g-1 at a current density of 5.0 A g-1 over 500 cycles, with improved electronic and ionic conductivities due to the rGO template. This suggested that practically available anode materials can be developed through our one-pot synthesis by in situ growing the Fe3O4 NPs.