Anode Material For Lithium-ion Batteries Research Articles

Doped hexa-peri-hexabenzocoronene as anode materials for lithium- and magnesium-ion batteries.

The adsorption processes of Li+, Li, Mg2+, and Mg on twelve adsorbents (pristine and N/BN/Si-doped hexa-peri-hexabenzocoronene (HBC) molecules) were studied using density functional theory. The molecular electrostatic potential (MESP) analyses show that the replacement of C atoms of HBC by N/BN/Si units can provide a more electron-rich system than the parent HBC molecule. Li+ and Mg2+ exhibit strong adsorption on pristine and doped HBC molecules. The adsorption energy of cations on these nanoflakes (Eads-1) was in the range of -247.44 (Mg2+/m-C40H18N2 system) to -47.65 kcal mol-1 (Li+/B21H18N21 system). Importantly, our results suggest the weaker interactions of Li+ and Mg2+ with the nanoflakes as the MESP minimum values of the nanoflakes became less negative. In all studied systems, we observed electron donation from the nanoflakes to Li+ and Mg2+. For the metal/nanoflake systems, the adsorption energy of metals on the nanoflakes (Eads-2) was in the range of -33.94 (Li/C38H18B2N2 system) to -2.14 kcal mol-1 (Mg/B21H18N21 system). Among the studied anode materials for lithium-ion batteries (LIBs), the highest cell voltage (Vcell) of 1.90 V was obtained for B21H18N21. Among the studied anode materials for magnesium-ion batteries (MIBs), the highest Vcell value of 5.29 V was obtained for m-C40H18N2. Eads-2 has a significant effect on the variation of Vcell of LIBs, while Eads-1 has a significant effect on the variation of Vcell of MIBs.

The performance of phosphorus hexarbide monolayer as lithium-ion battery anode materials by boron and sulfur doping

The performance of phosphorus hexarbide monolayer as lithium-ion battery anode materials by boron and sulfur doping

Cu@MOF based composite materials: High performance anode electrodes for lithium-ion and sodium-ion batteries

In order to satisfy the increasing demand for energy, it is essential to improve the efficiency of lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs) batteries. Metal selenides (MSes) have a high theoretical specific capacity, can be designed in a variety of ways, conduct electricity well, can change morphology easily, and have a multi-electron reaction mechanism. These characteristics make them very competitive as anode materials for LIBs and SIBs. Herein, we synthesise Cu@MOF and Cu@NH2-MOF as the precursor to prepare Cu1.95Se embedded into porous carbon matrix (Cu1.95Se@PC) and porous-N-doped carbon matrix (Cu1.95Se@NPC) via pyrolysis process of Cu@MOF and Cu@NH2-MOF, respectively. Cu1.95Se@PC and Cu1.95Se@NPC electrodes for half-cell LIBs and SIBs exhibit a high reversible capacity of 313.1, 480.9 (for LIBs), 216.3 and 303.8 (for SIBs) mAhg−1after 1000 cycles at 2 A g−1, respectively. We assess the electrochemical performance of the Cu1.95Se@PC and Cu1.95Se@NPC anodes by integrating them with commercially available LiFePO4 (LFP) into full-cell LIBs. The LFP//Cu1.95Se@PC and LFP//Cu1.95Se@NPC full-cells have discharge capacities of approximately 330 and 293 mAh g−1 at 0.3 A g−1 at the initial cycle. In order to explore the sodium storage mechanism of the Cu1.95Se composites, we conducted an in situ XRD test during the first charge/discharge cycle, considering their favourable cycling and rate performance. Our work provides a promising anode electrode material for both half-cell LIBs and SIBs with high volume utilization and superior electrochemical performances.

Exposure of functional group from hyperbranched precursor to arrange SiOC phase for lithium-ion batteries

Polymer-derived silicon oxycarbide (SiOC) ceramics are promising anode materials for lithium-ion batteries due to their high theoretical capacity. However, controlling their structure and composition during pyrolysis is challenging. This study employs chemical methods to construct hyperbranched polysiloxane precursors, exposing varying amounts of Si–OH groups to regulate Si–C and Si–O rearrangement. The resulting SiOC ceramics exhibit high reversible phase contents and improved electrical conductivity with added phenolic resin. The optimized SiOC ceramic M1-PF delivers a reversible capacity of 775.5 mAh g−1 after 300 cycles at 0.5 A g−1, and 344 mAh g−1 at 4 A g−1. A full cell with M1-PF and LiFePO4 retains 89.7 % capacity after 100 cycles at 0.2 A g−1. This work provides new insights for customizing SiOC ceramics for advanced battery applications.

The Effect of Nickel Addition on α-Fe2O3 Synthesis Using NaOH and Application as Lithium-Ion Battery Anode Material

Research has been conducted in the pursuit of developing the performance of batteries. The increasing demand for electronic devices and electric vehicles has driven the development of high-performance lithium-ion batteries (LIBs). Among the various anode materials, α-Fe2O3 has attracted significant attention due to its high theoretical specific capacity of 1007 mAh/g. However, its low conductivity and poor rate capability limit its practical application. To address these issues, this study investigates the addition of nickel (Ni) into α-Fe2O3 through a co-precipitation method. The synthesized materials were characterized using Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), and Scanning Electron Microscopy with Energy-Dispersive X-ray spectroscopy (SEM-EDX). The electrochemical performance was evaluated using an LCR meter and charge-discharge cycling. The results showed the addition of Ni improved the conductivity of the α-Fe2O3 material. The optimal Ni content was found as much as 18×10-4 mol which exhibits the highest conductivity and specific capacity. The synthesized α-Fe1.965Ni0.035O3 material demonstrated a specific charging capacity of 1.8433 mAh/g and a specific discharging capacity of 1.8388 mAh/g. These findings suggest that Ni-doped α-Fe2O3 has the potential to be a promising anode material for high-performance lithium-ion batteries (LIBs).

Microscopy Investigation of Streblus asper Lour. Leaves-derived SiO2/C with Polypyrrole Nanocomposites as Sustainable Anode Materials for Lithium-ion Batteries

Microscopy Investigation of Streblus asper Lour. Leaves-derived SiO2/C with Polypyrrole Nanocomposites as Sustainable Anode Materials for Lithium-ion Batteries

Sn@C fiber prepared by electrospinning as anode materials for lithium-ion batteries

Sn@C fiber prepared by electrospinning as anode materials for lithium-ion batteries

Theoretical study on electrochemical and thermal behavior of GNP incorporated anode materials for lithium-ion batteries

In this paper, a theoretical investigation of the electrical and thermal performance of lithium-ion batteries employing an unexplored graphene nanoplatelets (GNP) incorporated lithium titanate (LTO-GNP) anode and lithium manganese oxide cathode is demonstrated by using the COMSOL Multiphysics modeling and simulation. The GNP proportions in the LTO active material matrix are varied from 0 to 3 wt%, to assess the improvements in cell potential, state of charge (SOC), variation in internal temperature, discharging capacity, and battery power density across four selected electrodes. The simulation results have indicated the positive effects of increasing the anode’s GNP concentration on the battery performance, alongside temperature-dependent open-circuit voltage (OCV) and SOC outputs of the battery. The analysis of the effects of thermal conductivity on heat accumulation and dissipation within the battery has indicated that the anode with 3 wt% of GNP consistently performed superior to the other electrodes by providing uniform temperature distribution and enhanced electrical performance by promoting better discharge capacity and power density. The LTO anode with 3 wt% GNP has shown 0.2V more cell potential and also has 12.5% improved thermal conductivity when compared to LTO anode without GNP, contributing to better heat distribution inside the battery. The simulation also emphasized the importance of optimal GNP loading in the Li-ion battery anode to attain more uniform temperature distribution with improved battery health and efficiency.

High Entropy Oxide Duplex Yolk-Shell Structure with Isogenic Amorphous/Crystalline Heterophase as a Promising Anode Material for Lithium-Ion Batteries.

Achieving composition and structure regulation on high entropy materials is a big challenge but will give this kind of new materials a huge boost in energy storage. Herein, a novel high entropy oxide ((CrMnFeCoNi)3O4) duplex yolk-shell structure (DYSHEO) with isogenic amorphous/crystalline heterophase are designed and successfully prepared through a simple microthermal solvothermal reaction followed by mesothermal calcination. The microthermal solvothermal reaction results in high entropy precursor with duplex yolk-shell structure, while the mesothermal calcination (annealing temperature at 450°C) realizes the precursor transformation to (CrMnFeCoNi)3O4 (DYSHEO-450) with isogenic amorphous/crystalline heterophase structure. The high entropy effect, the duplex yolk-shell structure, and the isogenic amorphous/crystalline heterophase endow DYSHEO-450 great advantages as lithium-ion battery anode including reducing ion migration obstruction, accommodating volume expansion, and alleviating the stress. Accordingly, DYSHEO-450 exhibits high capacities of 1721 mAh g-1@0.5A g-1, and 1356 mAh g-1@1 A g-1 after 500 cycles with a capacity retention rate of 90.3%. It also shows excellent performances in practical application as anode of a coin-type full cell. This work provides new ideas and directions for the structural regulation of high-entropy materials.

Self-assembly of polyoxometalate-based metal-organic framework with trefoil sign structural feature as efficient anode for lithium ion batteries

To extend the practical applications of polyoxometalates (POMs) based metal–organic frameworks (POMOFs) in the most cut-ting-edge (lithium ion batteries) LIBs, a new crystalline POMOFs, [Ag6(H2trz)6]·[H4SiW12O40]·6H2O (SiW12-Ag-trz), was successfully synthesized and well characterized in the work. Crystal analysis reveals that Keggin-typed POMs [H4SiW12O40] (SiW12) are inserted into the Ag-trz helical chain to construct 3D POMOFs with open pore channels with trefoil sign structural feature, in which SiW12 polyoxoanion exhibiting the most diverse coordination modes in the reported crystalline POMOFs, to the best our knowledge. Because the pore channels facilitate the storage and release of lithium ions, and the SiW12 polyoxoanion growing on the framework serves as an excellent electron sponge, crystalline SiW12-Ag-trz as an anode material for lithium-ion batteries (LIBs) exhibits highly reversible capacity and rate capability. Moreover, to illustrate the lithium storage, the impedance spectra and cyclic voltammetry (CV) with different scan rates during the first and 50th charge process were studied in details.

P-Type Cross-Linked Silicon Nanocomposites for Improving the Lithium-Ion Deinsertion from Anode Materials of Lithium-Ion Batteries

P-Type Cross-Linked Silicon Nanocomposites for Improving the Lithium-Ion Deinsertion from Anode Materials of Lithium-Ion Batteries

Designing 2D Janus Zr[formula omitted]CTX MXenes for anode materials in lithium-ion batteries

Background:Recently, 2D MXenes have shown great potential for use as electrode materials in lithium-ion batteries because of their unique layered structures and superior mechanical properties. Methods:Density functional theory (DFT) was utilized to explore the potential applications of 2D Janus Zr-based MXenes with various surface atoms, including O, S, Se, and Te, as anode materials in lithium-ion batteries. Significant Findings:The results showed that ▪ possesses excellent capacity and mechanical properties except for its non-metallic nature, limiting its application as the anode material. By selectively substituting O on one side of the ▪ surface by Se and Te, resulting in ▪ and ▪ , respectively, the materials exhibit metallic characteristics. Both ▪ and ▪ were found to have high capacities (with values of 370.41 and 317.12 mAhg−1, respectively) and be capable of adsorbing multiple Li layers on both sides. In addition, lower diffusion barriers were found on Se and Te sides compared with the O side. This study demonstrated that the creation of Janus structures enhances the electronic properties of Zr-based MXenes while maintaining their superior mechanical properties, rendering the materials more suitable for use as electrodes in lithium-ion batteries.

Slow Voltage Relaxation of Silicon Nanoparticles with a Chemo-Mechanical Core-Shell Model.

Silicon presents itself as a high-capacity anode material for lithium-ion batteries with a promising future. The high ability for lithiation comes along with massive volume changes and a problematic voltage hysteresis, causing reduced efficiency, detrimental heat generation, and a complicated state-of-charge estimation. During slow cycling, amorphous silicon nanoparticles show a larger voltage hysteresis than after relaxation periods. Interestingly, the voltage relaxes for at least several days, which has not been physically explained so far. We apply a chemo-mechanical continuum model in a core-shell geometry interpreted as a silicon particle covered by the solid-electrolyte interphase to account for the hysteresis phenomena. The silicon core (de)lithiates during every cycle while the covering shell is chemically inactive. The visco-elastoplastic behavior of the shell explains the voltage hysteresis during cycling and after relaxation. We identify a logarithmic voltage relaxation, which fits with the established Garofalo law for viscosity. Our chemo-mechanical model describes the observed voltage hysteresis phenomena and outperforms the empirical Plett model. In addition to our full model, we present a reduced model to allow for easy voltage profile estimations. The presented results support the mechanical explanation of the silicon voltage hysteresis with a core-shell model and encourage further efforts into the investigation of the silicon anode mechanics.

Metalation of porphyrin units in a porous organic polymer stabilizing its anodic cycling performance in lithium-ion battery

Organic materials have attracted tremendous interest as electrodes materials for lithium-ion battery, however, they still suffer from intractable problems including inherent low electronic conductivity, poor cycling stability and high solubility in electrolyte etc. Herein, a porphyrin-based porous organic polymer (POP) is employed to serve as anode material by virtue of its good insolubility, unique π-π interaction and abundant active sites. The POP electrode exhibits a high specific capacity of 584 mAh g−1 at 100 mA g−1 originated from fast redox activity while unfortunately undergoes a severe capacity fading during long-term cycles. It is found that the metalation of porphyrin moiety in POP by Ni2+ (Ni-POP) enables an excellent cycling stability of 380 mAh g−1 with a capacity retention of 99 % for 500 cycles. We revealed that porphyrin unit is decomposed from the cleavage of the C-N/C=N bonds in porphyrin units, while Ni coordination stabilizes porphyrin units during fast redox process as affirmed by ex situ X-ray photoelectron spectroscopy. The easy fabrication, low-cost and excellent performance make Ni-POP great potential as anode material for lithium-ion battery.

Influence of threaded pipe structural parameters on the conveyance of lithium-ion battery anode materials

Particle stratification occurs during the pneumatic conveyance of lithium-ion battery (LIB) anode materials, resulting in an uneven particle size distribution, which affects battery performance. To optimize the conveyance of lithium-ion battery anode material particles and achieve uniform mixing of large and small particles, this study proposes the inclusion of a threaded pipe section and evaluates this structure based on numerical simulations and experimental research. The results indicate that a pitch of 500 mm maximizes the mixing performance enhancement coefficient for the threaded pipe section. Additionally, the mixing performance is best for a channel comprising 4 threaded pipe sections (the enhancement coefficient exceeds 1.6). The final structure with 4 threaded pipe sections, 500 mm pitch, and 4 channels can be used for graphitic anodes in LIBs under conditions of a small pressure drop and excellent mixing performance. This structure also provides uniform particle transportation.

Oxygen vacancy-assisted construction of phosphorus-doped layers to improve the lithium storage performance of T-Nb2O5

T-Nb2O5 is a promising anode material for high power density lithium-ion batteries (LIBs) due to its fast lithium storage capacity and safe lithiation potential. However, its practical application is hindered by its low electronic conductivity. In this work, we improved the electrochemical performance of T-Nb2O5 by surface P-doping and the N-doped carbon substrate. Surface P-doping guided by defects enhances the electronic conductivity of the material, which can synergize with N-doped carbon substrates to form a conductive network and accelerate the lithiation/delithiation process. More importantly, surface P-doping does not destroy the internal crystal structure of the material, ensuring the stability of the Nb2O5 during the charge/discharge process. When used as the anode for LIBs, the Nb2O5-P/N-C exhibits great cycling stability and high-current charge/discharge performance. The specific capacity of Nb2O5-P/N-C exceeds 116 mAh g−1 after 1000 cycles at 1000 mA g−1. This work presents a novel approach to improve the electrochemical performance of T-Nb2O5.

Perovskite-Type CaVO3 Nanocomposite as High-Performance Anode Material for Lithium-Ion Batteries.

Electric vehicles' rapid development has put higher requirements on the performance of lithium-ion batteries (LIBs). However, the specific capacity of a commercial graphite anode (372 mAh g-1) has become the bottleneck for further improvement. Therefore, it is urgent to develop novel anode materials with superior performance. Herein, we propose crystalline-amorphous dual-phase CaVO3 nanocomposites as LIB anodes. Benefiting from the stable perovskite structure and high conductivity of CaVO3, the nanocomposite follows the intercalation mechanism, resulting in no capacity decay during 5000 cycles. In addition, due to the multielectron transfer provided by amorphous high-valent vanadium oxide, the nanocomposite can provide a high specific capacity of 442.8 mAh g-1 with a suitable average working potential of 0.95 V. The ingenious strategy of constructing nanocomposites through spontaneous oxidation of nanoparticles is expected to be extended to the perovskite oxide family, inspiring the development of more high-performance LIB anodes.

Co3O4/CuO Hybrid Hollow Microspheres as Long-Cycle-Life Lithium-Ion Battery Anode.

Co3O4/CuO hybrid hollow microspheres have been successfully prepared via thermal decomposition of CoCu glycolates, whose size can be adjusted by varying the molar ratio of Co2+/Cu2+. As lithium-ion battery (LIB) anode, Co3O4/CuO microspheres exhibited excellent electrochemical performance due to synergistic effects and the hollow structural design, the best Co3O4/CuO sample could maintain a high specific capacity of 1170.4 mAh g-1 after 300 cycles at 1 A g-1, and still retain a capacity of 514.5 mAh g-1 after 1000 cycles at 2 A g-1. Thus obtained Co3O4/CuO hybrid hollow microspheres hold great potential as anode materials for high-performance LIBs.

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 97.1 % 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.

Enhanced Electrochemical Performance of Carbon-Composited Co3O4 Microspheres as Anode Materials for Lithium-Ion Batteries

Enhanced Electrochemical Performance of Carbon-Composited Co3O4 Microspheres as Anode Materials for Lithium-Ion Batteries