Anode Material For Batteries Research Articles

Investigating the impact of acetylenic linkage in C20 fullerene: Utilization in optoelectronic devices and as anode material

This study delves into the diverse characteristics of C80 fulleryne, derived from the incorporation of acetylenic linkages into each chain of the smallest fullerene, C20. Utilizing advanced theoretical computations, we confirm the stability of C80 fulleryne. Notably, its possession of a finite energy gap (0.743 eV) categorizes it as a semiconductor. Further enlightenment into its structural stability, bonding and reactivity stems from an exploration of different energy components, topological descriptors of electron density and chemical reactivity parameters. C80 fulleryne can act as radical scavenger owing to its higher electron affinity (5.5 eV). Spectral analysis revealed the C80 fulleryne’s absorption within the near-infrared region and its intriguing optical transparency with negligible loss in specific regions of the electromagnetic spectrum. Additionally, our investigation scrutinized the viability of C80 fulleryne as an anode material in Lithium-ion batteries. The presence of low adsorption energy (−1.693 eV) and significant amount of Bader charge transfer (0.917 e) between Li-ion and C atoms of C80 fulleryne confirms that Li-ion gets chemisorbed on the C80 fulleryne. Remarkably, this cage acts as a storehouse to host 12 Li ions, precisely one for each of its constituent pentagons within the C80 fulleryne structure, bearing a theoretical capacitance of 335 mAhg−1.

Exploring Mo2B MBene as a high-capacity anode material for multi-valent metal-ion batteries: Insights from first-principles calculations

A novel class of 2-dimensional (2D) materials, known as MBenes, has recently been proposed as a promising candidate for electrode applications in metal-ion batteries due to their high conductivity and rich chemistry. In this study, we present a computational investigation into the potential of Mo2B MBene as an anode material for Na-, Mg-, and Al-ion batteries. Using density functional theory (DFT) calculations, we examine the structural, electronic, and electrochemical properties of both H- and T-type configurations of Mo2B. Our findings reveal that Mo2B exhibits metallic behavior and excellent metal adsorption characteristics, with Al exhibiting the strongest binding affinity, followed by Mg and Na. This strong binding, especially with Al, although results in higher diffusion barriers, it enhances layer adsorption leading to increased theoretical capacity. The calculated maximum capacities are significant, with Al (1323 mAh g−1) showing the highest capacity, followed by Mg (923 mAh g−1) and Na (216 mAh g−1). Additionally, the open-circuit voltage (OCV) for all metals ranges between 0.1 and 1.0 V, suggesting the suitability of Mo2B MBene as an anode material that minimizes dendrite formation risks. These results indicate the potential of Mo2B for high-performance multi-valence ion batteries, with particular promise for Al-ion batteries due to their superior capacity. Furthermore, we propose that strain engineering could optimize Mo2B for enhanced performance in Na-ion batteries. Overall, this study suggests Mo2B MBene as a highly promising anode material for next-generation metal-ion batteries, offering significant advantages in terms of capacity, voltage, and safety. Our findings provide insights that could be used for further experimental design of Mo2B-based anodes for energy storage technologies.

Mechanically Robust Polyimide Binder Realizes Stable and High Electrochemical Performance for Micro-Silicon Anodes in Lithium-Ion Batteries.

Silicon is regarded as a highly promising anode material for lithium-ion batteries, attributed to its substantial theoretical specific capacity. The practical implementation of Si-anodes is hindered by side reactions and significant volumetric changes, ~300% to 400%, occurring during the lithiation/delithiation processes. Pertinent binders can effectively mitigate the stress resulting from the volumetric exchange in Si-anodes. Herein, we developed a mechanically stable polyimide binder PI-CF3 and introduced trifluoromethyl and hydroxyl groups for commercial microparticular Si-anodes. With the highest Young's modulus of ~921.1 MPa, the binder presented the maximum resilience during the charging and discharging of Micro-Si, integrating the morphology, and reducing the degree to which the electrode disrupted ion and electric pathways. Moreover, -OH and -CF3 groups of the binder could potentially interact with the oxide layer at the surface of silicon through H-bonds resulting in a cross-linking network to improve interface stability. The as-prepared PI-CF3 binder with excellent intrinsic mechanical and electro-rich groups stabilizes the electrode structure and facilitates fast Li+ transportation. Consequently, at 0.6 Ag-1, the micro-Si anode produced an initial specific capacity of 1838 mAh g-1 at Si 0.66 mg cm-2. Besides, at Si 0.78 mg cm-2 specific capacity retained around 1219 mAh g-1 over 330 cycles.

A High-capacity Benzoquinone Derivative Anode for All-organic Long-cycle Aqueous Proton Batteries.

Quinone compounds, with the ability to uptake protons, are promising electrodes for aqueous batteries. However, their application is limited by the mediocre working potential range and inferior rate performance. Herein, we examined quinones bearing different substituents, and for the first time introduce tetraamino-1,4-benzoquinone (TABQ) as anode material for proton batteries. The strong electron-donating amino groups can effectively narrow the band gap and negatively shift the redox potentials of quinone material. The protonation of amino groups and the amorphization of structure result in the formation of an intermolecular hydrogen-bond network, supporting Grotthuss-type proton conduction in the electrode with a low activation energy of 192.7 meV. The energy storage mechanism revealed by operando FT-IR and ex-situ XPS features a reversible quinone-hydroquinone conversion during cycling. TABQ demonstrates a remarkable specific capacity of 307 mAh g-1 at 1 A g-1, which is the highest among organic proton electrodes. An all-organic proton battery of TABQ//TCBQ has also been developed, achieving exceptional stability of 3500 cycles at room temperature and excellent performance at sub-zero temperatures.

Nano-organic polymers with rich redox sites as anode materials for dual-ion batteries

Organic electrode materials (OEMs) are considered one of the potential electroactive materials used in rechargeable batteries due to their high availability, low price, and sustainability. Nevertheless, the high solubility of their organic small molecules and their low electrical conductivity limit their practical applications. In this study, porous nanorods organic conjugated polymer were successfully prepared by a solvothermal method using 1,4,5,8-naphthalenetetracarboxylic anhydride and azodicarbonamide as precursors for dual-ion battery anodes. The successful synthesis of polymer extends the π-conjugated structure, effectively reducing its solubility in organic electrolytes. Moreover, the azo group (NN) in the polymer was easily conjugated with the adjacent aromatic ring, increasing the utilization of the active site, thereby improving the conductivity of the material so that the polymer has a high discharge capacity (90.5 mAh g−1 at 2 C, up to 96 % capacity retention). Even with a high rate of 10 C, the polymer still exhibits excellent electrochemical performance (50.0 mAh g−1 at 270 cycles). Moreover, reaction kinetics tests show that the electrode material was based on a pseudocapacitive storage mechanism influenced by diffusion and double-layer control. Therefore, the design strategy of such a material paves the way for the application of dual-ion batteries.

Preparation of lithium-ion battery anode materials from graphitized spent carbon cathode derived from aluminum electrolysis

Preparation of lithium-ion battery anode materials from graphitized spent carbon cathode derived from aluminum electrolysis

Dual-Driven Ion/Electron Migration and Sodium Storage by In Situ Introduction of Copper Ions and a Carbon-Conductive Framework in a Tin-Based Sulfide Anode.

Tin sulfide (SnS) has emerged as a promising anode material for sodium ion batteries (SIBs) due to its high theoretical capacity and large interlayer spacing. However, several challenges, such as severe insufficient electrochemical reactivity, rapid capacity degradation, and poor rate performance, still hinder its application in SIBs. In this study, in situ introduction of copper ions and a carbon conductive framework to form SnS nanocrystals embedded in a Cu2SnS3 lamellar structure heterojunction composite (SnS/Cu2SnS3/RGO) with graphene as the supporting material is proposed to achieve dual-driven sodium ion/electron migration during the continuous electrochemical process. The designed structure facilitates the preferential electrochemical reduction of copper ions into copper nanocrystals during the discharge process and functions as a catalytically active center to promote multivalence tin sodiation reaction. Furthermore, during the charging process, the presence of copper nanocrystals also facilitates efficient desodiation of NaxSn and further activates to form higher valence state sulfides. As a result, the SnS/Cu2SnS3/RGO composite demonstrates high cycling stability with a high reversible capacity of 395 mAh g-1 at 5A g-1 after 500 cycles with a capacity retention of 85.6%. In addition, the assembled Na3V2(PO4)3∥SnS/Cu2SnS3/RGO sodium ion full cell achieves 93.7% capacity retention after 80 cycles at 0.5 A g-1.

Enhancing Electrochemical Performance of Si@CNT Anode by Integrating SrTiO3 Material for High-Capacity Lithium-Ion Batteries

Silicon (Si) has attracted worldwide attention for its ultrahigh theoretical storage capacity (4200 mA h g−1), low mass density (2.33 g cm−3), low operating potential (0.4 V vs. Li/Li+), abundant reserves, environmentally benign nature, and low cost. It is a promising high-energy-density anode material for next-generation lithium-ion batteries (LIBs), offering a replacement for graphite anodes owing to the escalating energy demands in booming automobile and energy storage applications. Unfortunately, the commercialization of silicon anodes is stringently hindered by large volume expansion during lithiation–delithiation, the unstable and detrimental growth of electrode/electrolyte interface layers, sluggish Li-ion diffusion, poor rate performance, and inherently low ion/electron conductivity. These present major safety challenges lead to quick capacity degradation in LIBs. Herein, we present the synergistic effects of nanostructured silicon and SrTiO3 (STO) for use as anodes in Li-ion batteries. Si and STO nanoparticles were incorporated into a multiwalled carbon nanotube (CNT) matrix using a planetary ball-milling process. The mechanical stress resulting from the expansion of Si was transferred via the CNT matrix to the STO. We discovered that the introduction of STO can improve the electrochemical performance of Si/CNT nanocomposite anodes. Experimental measurements and electrochemical impedance spectroscopy provide evidence for the enhanced mobility of Li-ions facilitated by STO. Hence, incorporating STO into the Si@CNT anode yields promising results, exhibiting a high initial Coulombic efficiency of approximately 85%, a reversible specific capacity of ~800 mA h g−1 after 100 cycles at 100 mA g−1, and a high-rate capability of 1400 mA g−1 with a capacity of 800 mA h g−1. Interestingly, it exhibits a capacity of 350 mAh g−1 after 1000 lithiation and delithiation cycles at a high rate of 600 mA hg−1. This result unveils and sheds light on the design of a scalable method for manufacturing Si anodes for next-generation LIBs.

AB–stacked bilayer β12–borophene as a promising anode material for alkali metal-ion batteries

As the lightest 2D material, monolayer borophene exhibits a specific charge capacity of 1860 mA h g−1 for Li-ion batteries, which is four times higher than that of graphite and is one of the highest specific charge capacities ever reported for 2D anode materials. Additionally, it showed high mechanical strength and a low diffusion barrier. However, monolayer borophene suffers from stability issues in its free-standing form, which restricts its real-life applications. Inspired by the recent experimental investigations, which proved the higher stability of bilayer borophene polymorphs (BBPs) over their monolayer counterparts, in this work, we investigated the dynamical and thermodynamical stabilities of both AA– and AB–stacked BBPs in their β12 phase using first-principles calculations. Between the two stacking patterns, we found that only the AB–stacked β12–BBP is both energetically and dynamically stable, and we further investigated its potential as a high-performance anode material for alkali metal-ion batteries. Our investigations show that AB–stacked β12–BBP exhibits good electrical conductivity before and after metal atom (Li/Na/K) adsorption onto it. Further, AB–stacked β12–BBP adsorbs the metal atoms strongly with adsorption energies ranging between −0.89 to −1.44 eV, indicating that there is a lesser possibility of forming dendrites on this anode. Similarly, it has a low diffusion energy barrier (~ 0.13–0.49 eV) for metal atoms, meeting the fast charge/discharge rate requirements. Moreover, it exhibits a reasonably low average metal-insertion voltage (0.43 to 0.65 V) and a specific charge capacity of 330–413 mA h g−1 that is comparable to graphite. All the above findings suggest that the AB–stacked bilayer β12– borophene can be a potentially favorable anode material.

Cross-linking matters: Building hard carbons with enhanced sodium-ion storage plateau capacities

Hard carbon is a promising anode material for sodium-ion batteries (SIBs). However, its commercialization is hampered by its relatively low capacity. This limitation primarily arises from the insufficient closed pore structures developed within the hard carbon. In this contribution, we precisely control the crosslinking structures of phenol-formaldehyde resin precursors by adjusting the catalyst amount, producing carbon materials with varied microstructures. We explore the relationship between the microstructures of the resin-derived hard carbon and its sodium storage performance. Our findings indicate that increasing the crosslinking degree of phenol-formaldehyde resins enhances the number of closed pores formed during high-temperature carbonization, thereby improving the plateau capacity. Notably, the hard carbon exhibits superior rate performance, due to its smaller closed pore diameter. This study provides an in-depth exploration of the relationship between precursor structural characteristics and the microstructures of hard carbons. By calculating the closed pore parameters, we elucidate the structure-performance relationship, demonstrating that optimizing the closed pore structures significantly enhances the electrochemical performance of hard carbons for SIBs. This research offers valuable insights for the development of high-performance hard carbon anodes, paving the way for the commercialization of SIBs.

Hard carbon anode materials for hybrid sodium-ion/metal batteries with high energy density

Interest in sodium-ion batteries (SIBs) as a lower-cost alternative to lithium-ion batteries (LIBs) is growing in both scientific and industrial fields. However, uneven premature sodium deposition and dendrite formation during cycling pose a serious safety threat, significantly limiting the application of SIBs. Achieving reversible and dendrite-free sodium metal deposition and dissolution on the anode surface is key to developing anode-less sodium batteries, the next generation of SIBs with energy densities comparable to those of LIBs. In anode-less systems, sodium ions not only intercalate into the anode's structure but also deposit on its surface, thereby multiplying the specific capacity. Here, we evaluate state-of-the-art hard carbon (HC) used in traditional SIBs as a potential anode material for anode-less sodium batteries. We present comprehensive research on sodium-ion/metal storage, depending on the type of carbon anode material, particle size and morphology of hard carbons, and the electrolyte and additives used. Half-cells with microspherical HC and a fluoroethylene carbonate-based electrolyte operated for over 3000 h, yielding an average discharge capacity of 550 mAh g−1, nearly twice that of HC in classic SIBs. Anode-less Na3V2(PO4)3||HC full cells demonstrated up to 25 % higher energy density and working potential compared to traditional full cells.

Recent Advances in Developing High-Performance Anode for Potassium-Ion Batteries based on Nitrogen-Doped Carbon Materials.

Owing to the low potential (vs K/K+), good cycling stability, and sustainability, carbon-based materials stand out as one of the optimal anode materials for potassium-ion batteries (PIBs). However, achieving high-rate performance and excellent capacity with the current carbon-based materials is challenging because of the sluggish reaction kinetics and the low capacity of carbon-based anodes. The doping of nitrogen proves to be an effective way to improve the rate performance and capacity of carbon-based materials as PIB anode. However, a review article is lacking in systematically summarizing the features and functions of nitrogen doping types. In this sense, it is necessary to provide a fundamental understanding of doped nitrogen types in nitrogen-doped(N-doped) carbon materials. The types, functions, and applications of nitrogen-doped carbon-based materials are overviewed in this review. Then, the recent advances in the synthesis, properties, and applications of N-doped carbon as both active and modification materials for PIBs anode are summarized. Finally, doped nitrogen's main features and functions are concluded, and critical perspectives for future research in this field are outlined.

Research progress of carbon nanotubes as anode materials for lithium-ion batteries: a mini review

Research progress of carbon nanotubes as anode materials for lithium-ion batteries: a mini review

Preparation of hard carbon–coated and metal-modified silicon anode materials for lithium-ion batteries

Preparation of hard carbon–coated and metal-modified silicon anode materials for lithium-ion batteries

Revealing Asymmetric Phase Transformation of the BiVO4 Anodes for Potassium-Ion Batteries by In Situ Transmission Electron Microscopy.

Potassium-ion batteries (PIBs) have emerged as a promising alternative to lithium-ion batteries (LIBs), thanks to the cost-effectiveness of potassium resources and a favorable redox potential of approximately -2.936 V. The monoclinic BiVO4, known for its layered structure, shows noteworthy electrochemical properties when utilized as an anode material for both LIBs and sodium-ion batteries. However, the fundamental electrochemical reaction mechanisms of the BiVO4 anode during the potassium insertion/extraction processes remain unclear. Here, we constructed a BiVO4 anode PIB inside the transmission electron microscope (TEM) to explore the real-time potassiation/depotassiation behaviors of BiVO4 during electrochemical cycling. Utilizing the state-of-art in situ TEM technique, the BiVO4 nanorods are found to undergo an asymmetric phase transformation for the first time, where the pristine BiVO4 material is transformed into an amorphous KxBiVO4 phase after the first cycle. More interestingly, the anode materials near and far from the potassium source exhibit opposite volume-changing trends under the same voltage potential. Also, this phenomenon should be attributed to the mass flow of the unstable K-Bi alloy under the electric field. Our findings provide significant insights into the electrochemical mechanism of BiVO4 nanorods during the potassiation/depotassiation process, with the hope of assistance in designing anodes for high-performance PIBs.

New Suggestion of Highly Durable Electrode Design for Ordered Mesoporous Ni-Mn Binary Transition Metal Oxide Anode Material in Lithium-Ion Batteries.

Anode materials storing large-scale lithium ions gradually decrease electrochemical performance due to severe volume changes during cycling. Therefore, there is an urgent need to develop anode materials with high electrochemical capacity and durability, without deterioration arising due to the volume changes during the electrochemical processes. To date, mesoporous materials have received attention as anode materials due to their ability to mitigate volume expansion, offer a short pathway for Li+ transport, and exhibit anomalous high capacity. However, the nano-frameworks of transition metal oxide collapse during conversion reactions, demanding an improvement in nano-framework structure stability. In this study, ordered mesoporous nickel manganese oxide (m-NMO) is designed as an anode material with a highly durable nanostructure. Interestingly, m-NMO showed better cycle performance and higher electrochemical capacity than those of nickel oxide and manganese oxide. Operando small-angle X-ray scattering and ex situ transmission electron microscopic results confirmed that the binary m-NMO sustained a highly durable nanostructure upon cycling, unlike the single metal oxide electrodes where the mesostructures collapsed. Ex situ X-ray absorption spectroscopy proved that nickel and manganese showed different electrochemical reaction voltages, and thus undergoes sequential conversion reactions. As a result, both elements can act as complementary nano-propping buffers to maintain stable mesostructure.

Carbon matrix NiFeP/C nanoparticles anchored on Ti3C2Tx nanosheets as heterostructure high-performance anode for lithium-ion batteries

Engineered micro-nano heterogeneous architectures for transition metal phosphide (TMPs) anode materials in lithium-ion batteries (LIBs) provide multifunctional active components. These components synergistically interact to address pivotal challenges of pronounced volume expansion and sluggish reaction kinetics within the electrode. Consequently, this engineering design approach significantly enhances the overall battery performance. In this study, a self-assembled approach is employed to integrate hybridized NiFe-PBA nanocubes with two-dimensional (2D) monolayer MXene (Ti3C2Tx), producing a heterostructured NiFeP/C@Ti3C2Tx composite. In this meticulously engineered architecture, the interface between the outer MXene layer and NiFeP embedded within the carbon matrix exhibits several distinct superiorities, such as rapid interfacial ion migration, multidirectional migration pathways, and strong spatial adaptability. The resulting non-uniform phase structure effectively mitigates electrode expansion and enhances electronic conductivity. Consequently, the NiFeP/C@Ti3C2Tx-15 composite demonstrates distinct performance advantages over NiFeP/C without MXene. The composite achieves a specific capacity of 689.4 mAh g⁻¹ at 200 mA g⁻¹ over 300 cycles, double that of NiFeP/C. Furthermore, density functional theory (DFT) calculations validate the electronic conductivity facilitated by the heterointerface between MXene and NiFeP, substantiating the strategic significance of the heterostructure in advancing high-performance anode materials for lithium-ion batteries.

Carbon-encapsulated silicon ordered nanofiber membranes as high-performance anode material for lithium-ion batteries

Silicon have attracted much attention as a promising anode material for lithium-ion batteries due to the extremely high theoretical capacity. However, its practical application is limited by the huge volume expansion during the cycling process. To address this issue, carbon-encapsulated silicon ordered nanofiber membranes were designed through a modified electrospinning technology with a strong magnetic field. Compared with the conventional nanofiber membranes, the optimized M1200 Gs anode exhibited a high discharge capacity of 1603.1 mAh·g−1 at 0.1 A·g−1, a superior rate performance, and a robust cycling stability with a reversible capacity of 658.1 mAh·g−1 at 1 A·g−1 after 100 cycles. The improved electrochemical performance was confirmed to be highly correlated with the parallel structure of nanofibers, which help to facilitate the diffusion and transport of electrons and ions, realize the stress distribution and buffer the volume changes. This work provides unique insights into designing silicon-based anodes with novel structures for lithium-ion batteries.

Theoretical study on arsenene as anode material for magnesium ion battery in rail transit

The development and regulation of high-performance anode materials contribute to the rapid development of ion batteries in rail transit. In this paper, based on the first-principles calculation method of density functional theory, the properties of two-dimensional arsenene materials are regulated by torsional deformation, and the feasibility of torsionally deformed arsenene as an electrode material for magnesium ion batteries is studied. The results show that the arsenene monolayer remains stable after being adsorbed by a single Mg ion. The properties of arsenene are indirect bandgap semiconductors with a band gap of 1.60 eV. In the current research scope, deformation does not change the semiconductor properties of intrinsic arsenene. As the torsion angle increases, the band gap gradually decreases. The Mg-adsorbed arsenene system exhibits quasi-metallic properties with a band gap of 0.07 eV. The torsional deformation transforms the adsorption system into a small band gap semiconductor. The torsion deformation makes the diffusion energy barrier of magnesium ions on the arsenene monolayer only 0.09 eV, which ensures an excellent charge–discharge rate. The research results provide a theoretical basis for the design of magnesium ion batteries in rail transit.

N/P/O co-doped porous carbon derived from agroindustry waste of peanut shell for sodium-ion storage

Porous bio‑carbon from agroindustry waste behaves one of the most promising anode materials for sodium-ion batteries (SIBs) because of its high sodium storage capacity, low cost, sustainability, and low charge/discharge voltage platform. Herein, we have developed a new N/P/O co-doped porous hard carbon derived from peanut shell (PSCNP) synthesized via KOH activation, hydrothermal doping combined with carbonization method, using chitosan as nitrogen source, phytic acid as phosphorus source, and peanut shell as carbon and oxygen source. Through seriously regulating the calcination temperature, the optimal PSCNP-800 carbonization at 800 °C can well combine the advantages of the natural rich porous microstructure of peanut shells, large graphite interlayer spacing (0.379 nm), and short diffusion distance for sodium-ion. As an advanced anode for SIBs, the PSCNP-800 delivered a reversible capacity of 248.8 mAh g−1 after 100 cycles at 25 mA g−1. This work could provide a possible idea for the preparation of N/P/O co-doped porous hard carbon from low-cost agroindustry waste as anodes for SIBs.