Anode For Batteries Research Articles

Conversion of waste denim fabrics into high-performance carbon fiber anodes for sodium-ion batteries

Conversion of waste denim fabrics into high-performance carbon fiber anodes for sodium-ion batteries

Predicting corrosion current density in magnesium alloy battery anodes: machine learning approach using rapid miner

ABSTRACT Magnesium (Mg) alloys are increasingly recognised for their potential as anode materials in batteries due to their high specific capacity and cost-effectiveness. However, their susceptibility to corrosion poses a significant challenge to practical applications. This study explores the effectiveness of various machine learning models – local polynomial regression, Decision Trees, Random Forest, Gradient Boost, and Extreme Gradient Boost – in predicting the corrosion behaviour of Mg alloy battery anodes in a 3.5 wt.% NaCl electrolyte. Experimental data on the corrosion current density of Mg alloys are collected and analysed using the RapidMiner tool for model training and evaluation. The findings highlight that the Extreme Gradient Boost (XGBoost) model excels among other machine learning techniques in accurately forecasting the corrosion rates of Mg alloys. XGBoost achieves an exceptional R2 value of 0.9931 in Tafel plots, indicating a robust fit to the data as evidenced by scatter plots. Furthermore, the XGBoost model demonstrates strong positive monotonic and ordinal relationships between actual and predicted corrosion current densities, as indicated by a Spearman correlation coefficient of 1 and a Kendall tau coefficient of 0.99. These outcomes underscore XGBoost's potential as a powerful tool for enhancing the understanding and management of corrosion in Mg alloy battery applications.

Graphite Regeneration and NCM Cathode Type Synthesis from Retired LIBs by Closed-Loop Cycle Recycling Technology of Lithium-Ion Batteries

A closed-loop regeneration process for spent LiCoO2 has been successfully designed with prior synthesis of LiNixCoyMnzO2, by the authors. This research applies the methodology to lithium-ion battery anodes, using spent graphite from a decommissioned battery in a leaching process with 1.5 mol∙L−1 malic acid and 3% H2O2 alongside LiCoO2. The filtered graphite was separated, annealed in an argon atmosphere, and the filtrate was used to synthesize NCM cathode material. Characterization involved X-ray diffraction, EDX, and SEM techniques. The regenerated graphite (RG) showed a specific discharge capacity of 340.4 mAh/g at a 0.1C rate in the first cycle, dropping to 338.4 mAh/g after 55 cycles, with a Coulombic efficiency of 99.9%. CV and EIS methods provided further material assessment. In a related study, the SNCM111 synthesized from the leaching solution showed a specific discharge capacity of 131.68 mAh/g initially, decreasing to 115.71 mAh/g after 22 cycles.

Fluorine-Doping Carbon-Modified Si/SiOx to Effectively Achieve High-Performance Anode.

To address the significant challenges encountered by silicon-based anodes in high-performance lithium-ion batteries (LIBs), including poor cycling stability, low initial coulombic efficiency (ICE), and insufficient interface compatibility, this work innovatively prepares high-performance Si/SiOx@F-C composites via in situ coating fluorine-doping carbon layer on Si/SiOx surface through high-temperature pyrolysis. The Si/SiOx@F-C electrodes exhibit superior LIB performance with a high ICE of 79%, exceeding the 71% and 43% demonstrated by Si/SiOx@C and Si/SiOx, respectively. These electrodes also show excellent rate performance, maintaining a capacity of 603 mAhg-1 even under a high current density of 5000 mAg-1. Notably, the Si/SiOx@F-C electrode sustains a high reversible capacity of 829 mAh g-1 at 1000mA g-1 over 1400 cycles, and 588 mAhg-1 at 3000 mAg-1 even over 2400 cycles, capacity retention of up to 82.12%. Comprehensive characterization and analysis of the fluorine-doped carbon layer reveal its role in enhancing electrical conductivity and preventing structural degradation of the material. The abundant fluorine in the coating layer significantly increases the LiF concentration in the solid electrolyte interface (SEI) film, improving interfacial compatibility and overall lithium storage performance. This method is both straightforward and effective, providing a promising blueprint for the broader application of Si-based anodes in advanced lithium batteries.

Evidence of Quasi-Na Metallic Clusters in Sodium Ion Batteries through In Situ X-Ray Diffraction.

Carbonaceous materials have been considered the most promising anode in sodium-ion batteries (SIBs) due to their low cost, good electrical conductivity, and structural stability. The main challenge of carbonaceous anodes prior to their commercialization is low initial coulomb efficiencies, derived from a lack of an efficient technique to reveal a fundamental comprehension of sodium storage mechanisms. Here, the direct observation of quasi-Na metallic clusters in carbonaceous anodes during cycling through in situ XRD is reported. By means of such a technique, a strong self-adsorption behavior forming quasi-Na metallic clusters is detected within a rationally designed highly defective ultrathin carbon nanosheets (HDCS) anode. Such a self-adsorption and crystalline system transformation mechanism in HDCS brings capacity retention about 100% after 1000 cycles at 1 A g-1. This work provides a new principle for designing high-performance carbon anodes for SIBs.

First-principles calculation of ZrS2 as anode material of aluminium ion battery

Developing low-cost, high-stability, and high-performance new ion battery anode materials is beneficial for the rapid development of ion batteries in fields such as rail transit, electronic products, and aerospace. In this work, the first-principles calculation method was used to study the feasibility of ZrS2 monolayer as an anode material for Al ion batteries. The Al ions adsorbed in the strain system tend to bind to the ZrS2 monolayer. In the adsorption system, the adsorption of Al increases the conductivity of the system. The theoretical specific capacity of Al under full load is 690.303 mAh/g. The average open circuit voltage (OCV) is calculated to be 0.635 V. The diffusion barrier of Al ions is 0.071 eV. ZrS2 monolayer is an attractive anode material for ion batteries.

Highly Effective Polyacrylonitrile-Rich Artificial Solid-Electrolyte-Interphase for Dendrite-Free Li-Metal/Solid-State Battery.

Lithium metal anode batteries have attracted significant attention as a promising energy storage technology, offering a high theoretical specific capacity and a low electrochemical potential. Utilizing lithium metal as the anode material can substantially increase energy density compared with conventional lithium-ion batteries. However, the practical application of lithium metal anodes has encountered notable challenges, primarily due to the formation of dendritic structures during cycling. These dendrites pose safety risks and degrade battery performance. Addressing these challenges necessitates the development of a reliable and effective protection layer for lithium metal. This study presents a cost-effective and convenient method to spontaneously produce lithium metal protective layers by creating polymeric layers by using acrylonitrile (AN). This method remarkably extends 6× of the lifetime of lithium metal anodes under high current density (1 mA/cm2) cycling conditions. While the cycle life of bare lithium metal is approximately 150 h under high current cycling conditions, AN-treated lithium metal anodes exhibit an impressive longevity of over 900 h. The AN-treated lithium metal anodes are further integrated and tested with sulfide-based Li10GeP2S12 (LGPS) solid-state electrolytes to evaluate its interfacial stability at a solid-solid interface. The formation of the polyacrylonitrile (PAN)-rich ASEI, due to AN-treatment, effectively reduces and stabilizes the cell overpotential to only one-tenth of that with the interface without treatment. This strategy paves a route to enable a highly efficient and highly stable Li/LGPS solid-state battery interface.

Cross-linking γ-Polyglutamic Acid as a Multifunctional Binder for High-Performance SiOx Anode in Lithium-Ion Batteries.

SiOx is a highly promising anode material for realizing high-capacity lithium-ion batteries owing to its high theoretical capacity. However, the large volume change during cycling limits its practical application. The development of a binder has been demonstrated as one of the most economical and efficient strategies for enhancing the SiOx anode's electrochemical performance. In this work, a multifunctional binder (T-PGA) is fabricated by cross-linking γ-polyglutamic acid (PGA) and tannic acid (TA) for SiOx anodes. The introduction of TA into PGA helps to buffer the volume changes of the SiOx anodes, facilitate diffusion of Li+, and construct stable SEI layers. Benefiting from this proposed binder, the SiOx anode maintains a reversible capacity of 973.0 mAh g-1 after 500 cycles at 500 mA g-1 and the full cell, pairing with LiNi0.5Co0.2Mn0.3O2 cathode, delivers a reversible capacity of 133 mA h g-1 (73.2% retention) after 100 cycles. This study offers valuable insights into advanced binders that are used in high-performance Li-ion batteries.

Elucidating the Chemical Pre-Lithiation Mechanism of Hard Carbon Anodes for Ultra-high Stability Lithium-Ion Batteries.

The hard carbon (HC) anode materials demonstrate high capacity and excellent rate performance in lithium-ion batteries. However, HC anodes suffer from excessive loss of Li+ ions during the formation of the solid electrolyte interphase (SEI) film, leading to poor cycling stability, which hinders their large-scale applications. Herein, a facile pre-lithiation strategy is proposed to achieve multi-functional precompensation of carbon nanofibers (CNFs) anodes. Both experimental and density functional theory (DFT) calculation results revealed that the strategy compensated for the loss of Li+ ions and reacted with four structures of CNFs during pre-lithiation, including tiny graphite domains, CO-containing functional groups, defects, and micropores. Furthermore, the lithium in pre-lithiated carbon nanofibers (pCNFs) existed in various forms, consisting of LiC24 and LiC18, Li─O─C, quasi-metallic lithium, and Li+ ions. Moreover, the uniformly distributed lithium on the surface of pCNFs induced the formation of denser and more robust LiF/Li2CO3-rich SEI film, which promoted Li+ ions transport. As a result, pCNFs showed more stable cycling performance (369.8mAhg-1, almost no decay for 1500 cycles). This work provides deeper insight into chemical pre-lithiation and offers a simple and mild strategy for highly stable batteries.

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.

Designing Tin and Hard Carbon Architecture for Stable Sodium‐Ion Battery Anode

The lack of anodes stability is one among key barriers to the widespread commercialization of sodium‐ion batteries (SIBs). This is attributed to graphite, a well‐known common anode material for a range of commercial batteries including lithium‐ion batteries (LIBs), which limits the insertion of sodium (Na) ions due to their large ionic size. Tin (Sn) has shown its potential as a suitable anode material because it exhibits high capacities in conversion and alloying reactions. However, it endures significant volumetric expansion and slower reaction rates during sodiation. To overcome these challenges, this work presents a novel anode material for SIBs where a 2D layered architecture of Sn with a hard carbon (HC) buffer layer is engineered using physical vapor deposition technique. This novel anode (SnHT/HC) exhibits a high initial capacity of 470 mAhg−1 and an exceptional retention of 438 mAhg−1 after 3000 cycles at 0.2C, with 99 % Coulombic efficiency. SnHT/HC testing at varying fast charge and discharge C‐rate of 5C, 10C, 15C, and 50C has shown promising results. Better electron transport and reduced volumetric changes are perceived to enhance the overall performance of SnHT/HC electrodes.

Effect of Microstructure on Chemo-Mechanical Damage Evolution in Aluminum Foil Anodes for Lithium-Ion Batteries

Aluminum-based foil anodes could enable lithium-ion batteries with high energy density comparable to silicon and lithium metal. However, mechanical pulverization and lithium trapping within aluminum tend to cause capacity fading. The complex interplay between these damage modes is not well understood, as well as the role of microstructure on reaction front evolution. Here, we investigate aluminum foils with different compositions and processing conditions to understand how microstructure influences chemo-mechanical degradation. Backscattered electron imaging of ion-milled foil cross sections is used to visualize reaction front evolution and chemo-mechanical degradation. We find that the shape of the reaction front during lithiation is strongly affected by foil composition, defect distribution, and grain size, which, in turn, affects the evolution of chemo-mechanical damage within the foils. Furthermore, a key finding is that the extent of fracture upon delithiation is inversely related to lithium trapping, with foil compositions that exhibit uniform lithiation, and therefore, less fracturing showing greater lithium trapping. Nonreactive precipitate inclusions within alloy foils are also found to induce void formation. This work shows that material design strategies designed to overcome the inverse fracture-lithium trapping relationship could be useful for improving performance. Published by the American Physical Society 2024

Exploring Chlorinated Solvents as Electrolytes for Lithium Metal Batteries: A DFT and MD Study

ABSTRACTElectrolytes with fluorinated solvents have been regarded as a promising strategy to stabilize high‐voltage cathodes and the interphase of lithium anode in lithium metal batteries (LMBs). However, the rigorous synthesis approach and high cost have led to a demand for developing cost‐effective solvents with suitable properties for LMBs. Herein, we explored the possibility of using chlorinate solvents as electrolytes using density functional theory (DFT) and classical molecular dynamics (MD) simulation. Taking ether (1,2‐dimethoxyethane [DME], 1,3‐dioxolane [DOL]), carbonate (dimethyl carbonate [DMC], and ethylene carbonate [EC]) as examples, we first compared the energy variation of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) upon Cl and F substitution. In particular, we found that 1,2‐bis(chloromethoxy)ethane (DME‐2Cl‐2) has the lowest HOMO and the highest LUMO level among the chlorinated DME after coordinating with Li+, enabling a potentially wide voltage stability. Further MD simulation reveals that lithium ions in DME‐2Cl‐2 has a weaker solvation coordination with solvents but stronger interaction with anions than DME and 1,2‐bis(Fluoromethoxy)ethane (DME‐2F‐2), which is more beneficial for forming stable anion‐derived solid electrolyte interphase (SEI). Our findings suggest that chlorinated solvents can be used as promising electrolytes for LMBs.

Competitive Lithiation Mechanism of Silicon in Aluminum–Silicon Alloy Foil Anodes for Lithium-Ion Batteries

Competitive Lithiation Mechanism of Silicon in Aluminum–Silicon Alloy Foil Anodes for Lithium-Ion Batteries

Two-Dimensional ABS4 (A and B = Zr, Hf, and Ti) as Promising Anode for Li and Na-Ion Batteries

Metal ion intercalation into van der Waals gaps of layered materials is vital for large-scale electrochemical energy storage. Transition-metal sulfides, ABS4 (where A and B represent Zr, Hf, and Ti as monolayers as anodes), are examined as lithium and sodium ion storage. Our study reveals that these monolayers offer exceptional performance for ion storage. The low diffusion barriers enable efficient lithium bonding and rapid separation while all ABS4 phases remain semiconducting before lithiation and transition to metallic states, ensuring excellent electrical conductivity. Notably, the monolayers demonstrate impressive ion capacities: 1639, 1202, and 1119 mAh/g for Li-ions, and 1093, 801, and 671 mAh/g for Na-ions in ZrTiS4, HfTiS4, and HfZrS4, respectively. Average voltages are 1.16 V, 0.9 V, and 0.94 V for Li-ions and 1.17 V, 1.02 V, and 0.94 V for Na-ions across these materials. Additionally, low migration energy barriers of 0.231 eV, 0.233 eV, and 0.238 eV for Li and 0.135 eV, 0.136 eV, and 0.147 eV for Na make ABS4 monolayers highly attractive for battery applications. These findings underscore the potential of monolayer ABS4 as a superior electrode material, combining high adsorption energy, low diffusion barriers, low voltage, high specific capacity, and outstanding electrical conductivity.

Bi-Functional Agarose-Filled Porous Polysulfone Protective Layer for Dendrite-Free Zn Anode.

The uneven electric field and slow Zn2+ desolvation lead to rapid dendrite growth during Zn plating and stripping, which severely deteriorates the performance of Zn metal anodes (ZMAs) in Zn-ion batteries (ZIBs). Although polymer-based artificial protective (PBAP) layers are widely applied to homogenize the electric field of ZMAs, they often fail to promote the desolvation process that eventually induces Zn dendrite growth. Herein, a bi-functional protective layer, comprising a finger-like porous matrix of polysulfone (PSF) and a hydroxyl-rich filler of agarose (AG), is constructed to suppress Zn dendrite growth. COMSOL simulation demonstrates the ZMAs with bi-functional protective layers (Zn@PSF/AG) exhibit uniform electric field and Zn2+ distribution. Besides, the Zn@PSF/AG has both low desolvation energy and nucleation overpotential, effectively promoting the desolvation of Zn2+. Therefore, the Zn@PSF/AG symmetric cell exhibits excellent cycling performance, achieving 4200h at 1mA cm-2/1 mAh cm-2 and 1000h at 5mA cm-2/5 mAh cm-2. When coupling with ZnxV2O5 (ZnVO) cathode, the ZnVO‖Zn@PSF/AG full cell shows similarly high cycling stability, maintaining 72% of its capacity after 7000 cycles at 10 A g-1. This research highlights the positive roles of PBAP layer with multi-functional matrix-filler structure in developing long-life ZIBs.

Energy Storage in Carbon Fiber-Based Batteries: Trends and Future Perspectives

Carbon fiber-based batteries, integrating energy storage with structural functionality, are emerging as a key innovation in the transition toward energy sustainability. Offering significant potential for lighter and more efficient designs, these advanced battery systems are increasingly gaining ground. Through a bibliometric analysis of scientific literature, the study identifies three primary research areas: (i) the development of anodes for lithium-ion batteries, tackling challenges such as dendrite formation and performance degradation; (ii) the creation of new carbon fiber-based cathodes with coatings of LiFePO4, LiCoO2, or other nanoparticles, alongside efforts to develop cobalt-free alternatives; and (iii) the advancement of solid electrolytes that achieve a balance between ionic conductivity and mechanical strength. These advancements position carbon fiber-based batteries as promising solutions for seamless integration into various structural applications. The analysis of publication trends, citation patterns, and collaboration networks provides critical insights into the ongoing technological developments, current research challenges, and emerging trends in this field. Moreover, the study highlights potential research directions, underscoring the importance of continuous innovation to fully realize the potential of carbon fiber-based energy storage technologies.

G-C3N4 integrated silicon nanoparticle composite for high-performance Li-ion battery anodes

g-C3N4 integrated silicon nanoparticle composite for high-performance Li-ion battery anodes

Rational design of alginate-derived network binder for high-performance silicon-based anodes in Li-ion batteries

This study developed a novel alginate-derived network binder, SAH, to enhance the performance and stability of silicon-based anodes in lithium-ion batteries. Integrating acrylic acid and 2-hydroxyethyl acrylate with sodium alginate through a one-pot polymerization and in-situ cross-linking method, SAH effectively addresses the volumetric expansion challenges associated with silicon anodes. This innovative binder maintains the structural integrity of the silicon anode through its rigid acrylic acid component, while the flexible acrylic-2-hydroxyethyl ester serves as a dynamic buffer to enhance flexibility. Sodium alginate contributes its intrinsic beneficial properties and imparts a robust three-dimensional network structure through effective coupling, allowing the binder to accommodate silicon volume changes during battery operation. Consequently, lithium-ion batteries incorporating this binder exhibited improved stability and extended cycle life, achieving an impressive capacity retention rate of 87.3 % after 100 cycles at 0.5C. This study highlights the potential of biopolymeric materials in enhancing the functionality of silicon-based anodes, contributing to the ongoing development of high-performance energy storage technologies.

Pre-lithiation synergized with magnesiothermic reduction to enhance the performance of SiO anode for Advanced lithium-ion batteries

Pre-lithiation synergized with magnesiothermic reduction to enhance the performance of SiO anode for Advanced lithium-ion batteries