Anode Material For LIBs Research Articles

Exploring the potential of carbon and boron nitride integrated biphenyl frameworks as promising anode materials for high-performance Li-ion and Na-ion batteries: A comprehensive first-principles investigation

A protocol of evaluating 2D anode materials that was applied in our previous study has been refined. With the updated Li/Na potential profiles, the two-dimensional biphenyl network (BPN_C) and its isoelectronic structure, boron nitride (BPN_BN), were comprehensively investigated as potential anode materials. The electronic properties, the mechanic strength and the storage capacities were computed accordingly. The band structure results show that the BPN_C and BPN_BN exhibit the nature of conductor and wide-band semi-conductor, respectively. The calculated mechanic strengths of BPN_BN and BPN_C are competent for anode materials. The storage capacities of BPN_C and BPN_BN were addressed by means of the stepwise binding energies (Ead2) and ab initio molecular dynamic simulations. Higher storage capacities were identified as compared with those of the graphene structure. Furthermore, the calculated open-circuit voltages (OCVs) for both BPN_C and BPN_BN can meet the requirements of adequate anode materials. Finally, the diffusivities of Li/Na atoms on the surface of BPN_C and BPN_BN were investigated and found to be suitable for the application as anodes. Our results suggest that the BPN structures can be used as potential anode materials for both LIBs and SIBs.

Bionic Capsule Lithium-Ion Battery Anodes for Efficiently Inhibiting Volume Expansion.

Magnetite (Fe3O4) has a large theoretical reversible capacity and rich Earth abundance, making it a promising anode material for LIBs. However, it suffers from drastic volume changes during the lithiation process, which lead to poor cycle stability and low-rate performance. Hence, there is an urgent need for a solution to address the issue of volume expansion. Taking inspiration from how glycophyte cells mitigate excessive water uptake/loss through their cell wall to preserve the structural integrity of cells, we designed Fe3O4@PMMA multi-core capsules by microemulsion polymerization as a kind of anode materials, also proposed a new evaluation method for real-time repair effect of the battery capacity. The Fe3O4@PMMA anode shows a high reversible specific capacity (858.0 mAh g-1 at 0.1 C after 300 cycles) and an excellent cycle stability (450.99 mAh g-1 at 0.5 C after 450 cycles). Furthermore, the LiNi0.8Co0.1Mn0.1O2/Fe3O4@PMMA pouch cells exhibit a stable capacity (200.6 mAh) and high-capacity retention rate (95.5 %) after 450 cycles at 0.5 C. Compared to the original battery, the capacity repair rate of this battery is as high as 93.4 %. This kind of bionic capsules provide an innovative solution for improving the electrochemical performance of Fe3O4 anodes to promote their industrial applications.

Synthesis and Characterization of Vanadium Nitride/Carbon Nanocomposites.

The present work focuses on the synthesis of a vanadium nitride (VN)/carbon nanocomposite material via the thermal decomposition of vanadyl phthalocyanine (VOPC). The morphology and chemical structure of the synthesized compounds were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), Fourier transformed infrared spectroscopy (FTIR), X-ray diffraction (XRD), and X-ray photoemission spectroscopy (XPS). The successful syntheses of the VOPC and non-metalated phthalocyanine (H2PC) precursors were confirmed using FTIR and XRD. The VN particles present a needle-like morphology in the VN synthesized by the sol-gel method. The morphology of the VN/C composite material exhibited small clusters of VN particles. The XRD analysis of the thermally decomposed VOPC indicated a mixture of amorphous carbon and VN nanoparticles (VN(TD)) with a cubic structure in the space group FM-3M consistent with that of VN. The XPS results confirmed the presence of V(III)-N bonds in the resultant material, indicating the formation of a VN/C nanocomposite. The VN/C nanocomposite synthesized through thermal decomposition exhibited a high carbon content and a cluster-like distribution of VN particles. The VN/C nanocomposite was used as an anode material in LIBs, which delivered a specific capacity of 307 mAh g-1 after 100 cycles and an excellent Coulombic efficiency of 99.8 at the 100th cycle.

Theoretical prediction of SbP3 monolayer as anode material for lithium-ion battery applications

Herein, we have carried out a systematic investigation using first-principles calculations on the properties of Li atoms adsorbed on SbP3 monolayer in order to evaluate its pertinence as an anode material for (LIBs). The diffusion barrier value of Li atom on the SbP3 monolayer is around 0.44 eV, which is quite low. The value of OCV of the SbP3 monolayer is moderate and comparable to the commercial anode materials TiO2. Also, the theoretical storage capacity of Li-ion in SbP3 monolayer is 499.36 mAhg−1. Therefore, these findings render the SbP3 monolayer a potential candidate as an efficient anode material for LIBs.

Graphene oxide–lithium-ion batteries: inauguration of an era in energy storage technology

Abstract A significant driving force behind the brisk research on rechargeable batteries, particularly lithium-ion batteries (LiBs) in high-performance applications, is the development of portable devices and electric vehicles. Carbon-based materials, which have finite specific capacity, make up the anodes of LiBs. Many attempts are being made to produce novel nanostructured composite anode materials for LiBs that display cycle stability that is superior to that of graphite using graphene oxide. Therefore, using significant amounts of waste graphene oxide from used LiBs represents a fantastic opportunity to engage in waste management and circular economy. This review outlines recent studies, developments and the current advancement of graphene oxide-based LiBs, including preparation of graphene oxide and utilization in LiBs, particularly from the perspective of energy storage technology, which has drawn more and more attention to creating high-performance electrode systems.

Unveiling the effects of different component ratios on the structure and electrochemical properties of MoS2/TiO2 composites

In this study, a composite material comprising of MoS2 and TiO2 was designed, and the TiO2 content in the composite was systematically varied to enhance the rate capability and cycling performance of MoS2. The optimized composite structure (MT-3 with a mass ratio of MoS2 to TiO2 of 8:1) ensures stable connections between the flower-like MoS2 and TiO2 nanosheets through robust covalent Ti–O–S bonds, effectively enhancing the electrochemical reaction kinetics and thus improving lithium storage performance. Additionally, the incorporation of an appropriate amount of TiO2 alleviates the stacking of MoS2, increasing the number of electrochemically active sites. The specific capacities of MT-3 at current densities of 0.1, 0.5, 1, 2, and 5 A g−1 are 1172.9, 1039.3, 921.6, 864.9, and 696.5 mA h g−1, respectively. Furthermore, even after 100 cycles at 2 A g−1, it still maintains a high specific capacity of 694 mA h g−1, indicating excellent lithium storage performance. This synergistic strategy between MoS2 and TiO2 holds promise for the rational design of high-performance anode materials for LIBs.

Algal biomass-based zero-waste biorefinery for producing optically pure (R)-γ-valerolactone and carbonaceous electrodes applicable for energy storage devices

Mankind is facing a severe climate crisis caused by fossil fuel-derived CO2 emissions. Although biorefineries utilizing biomass have been considered the best option for carbon-neutrality, most biorefinery-derived products have not yet been promising for economic feasibility; various strategies have been developed to increase economic competitiveness, and zero-waste biorefineries are challenging options. Herein, we aim to develop an algal biomass-based zero-waste biorefinery for producing enantioselective (R)-γ-valerolactone ((R)-GVL) and carbonaceous electrodes applicable for Li-ion batteries (LiBs). Various algal biomasses were hydrothermally oxidized to produce levulinic acid (LA) as an intermediate for producing (R)-GVL, resulting that Gracilaria verrucosa was selected as feedstock. For the hydroxylation of G. verrucosa-derived LA to 4-hydroxyvaleric acid (4-HV), 3-hydroxybutyrate dehydrogenase (HBDH) was explored through genome mining and further engineered. The engineered HBDH successfully converted G. verrucosa-derived LA to 4-HV, which was subsequently lactonized under acidic conditions, resulting in optically pure (R)-GVL. To our knowledge, this is the first report of the production of an algal biomass-derived enantioselective (R)-GVL with a perfect enantiomeric excess (>99.99 %) that can be used as a precursor for more valuable biopharmaceuticals and bioplastics than biofuels. Furthermore, residual G. verrucosa after hydrothermal oxidation was used as a carbonaceous anode material for LIBs for the first time; hard carbon anodes, which were prepared through simple heat treatment (800 ℃, 3 h, argon atmosphere), exhibit good capacities of 231, 191, 133, 108, 97 and 86 mAh/g at 0.05, 0.1, 0.5, 1, 1.5, and 2 A/g, respectively. The results discussed herein can provide insights into zero-waste biorefineries applicable for diverse industrial fields (e.g., biopolymer, biopharmaceutical and energy storage) and contribute to the construction of closed-carbon-loops for coping with climate change.

Formation of hollow spheres structures Co/CoO/ZnO@NC from metal-organic frameworks as a anode for lithium-ion batteries

Transition metal oxides have become a potential anode material for LIBs due to their large theoretical capacity, low cost, abundant resources. However, significant volume changes and severe particle aggregation occur during charge/discharge process. In this work, it is found that the composite of dual component active TMO and single metal, and coating by doped carbon are the effective methods to improve the electrochemical performance and adapt to volume changes in storing lithium. The specific process is based on the co-precipitation of Zn and Co ions in the presence of 2-methylimidazolium salts to produce imidazolium salt frameworks (ZIFs) of bimetallic zeolites, which are then thermally decomposed to form hollow spheres structures Co/CoO/ZnO@NC. The hollow sphere uses Co as the core and CoO/ZnO@NC particles coated with nitrogen doped carbon layer as the shell. These spherical structures exhibit excellent electrochemical performance, high reversible capacity, excellent cycling stability (702 mAh/g at 100 mAg−1 after 100 cycles), and good rate capability (735 mAh/g and 515 mAh/g at 100 mA g−1 and 2000 mA g−1 respectively).

A flexible plane-wire MoO2-anchored carbon nanofiber matrix as freestanding anodes for lithium storage with enhanced cyclability

Inspired by beds of silkworm cocoon, a flexible ″plane-wire″ MoO2-anchored carbon nanofiber matrix has been successfully prepared through electrospinning and subsequent annealing processes. It delivers an initial discharge capacity of 877 mAh g−1 at 200 mA g−1 with a high initial coulombic efficiency of 84.7 % and showcases a high reversible specific capacity of 743 mAh g−1 in the second cycle when employed as free-standing anodes for lithium batteries. It also exhibits good rate performance and superb cyclability, which delivering a specific capacity of 364 mAh g−1 at a high current density of 2 A g−1 and maintains a notable specific capacity of 674 mAh g−1 even after 2000 cycles. It is found that, the carbon nanofiber matrix serves as a robust electronic conductive network to reduce the charge transfer resistance and promote the transportation of Li+, and provides excellent support to buffer volume changes of the MoO2, resulting in enhanced rate performance and cyclability. Moreover, these electrodes are designed to be free-standing, which can improve the flexibility of the electrode and initial coulombic efficiency. It is believed that the as-prepared ″plane-wire″ MoO2-anchored carbon nanofiber matrix is a promising anode material for high-performance LIBs.

A novel two-dimensional whorled CrB4 and MoB4 as high-performance anode material for metal ion batteries

Finding high-storage-capacity anode materials has been a focus of ion-battery research. Two-dimensional (2D) materials have shown promise as high-performance electrode-materials as they have developed gradually. Here we examined the viability of 2D CrB4 and MoB4 monolayers as optimal anode-materials for Li/Na/K ion batteries using first-principles DFT calculations. Preliminary investigations showed that both materials exhibited thermodynamic, structural, and mechanical stability. We found thata strongly negative adsorption energy can help instabilizingthe adsorption of metal-ions on materials surface instead of clustering, that ensures metal-ion-batteries stability. The maximum theoretical storage capacities of Li, Na, and K ions adsorbed on the CrB4 monolayer surface were 1689,1126 and 750 mA h g−1, respectively, while those on the surface of MoB4 were 1155,770 and 513 mA h g−1, respectively. Additionally, calculated open-circuit voltages for Li-ions (0.84,0.82 V), Na-ions (0.25,0.32 V), and K-ions (0.85,0.81 V) for CrB4 and MoB4 monolayers, respectively. Electronic properties showed that increasing the metal ions concentration enhanced both materials’ electrical conductivity and remained the metallic in nature after adsorption. However, Li/Na/K energy barriers are nevertheless consistent with various typical 2D anode materials. The light shaded on 2D MoB4 and CrB4 is anticipated to identify new anode materials for LIBs, NIBs, and KIBs.

Construction of novel lithium-ion battery anode materials with superior rate performance through Fe/Li2O composite interface

Based on the “job-sharing” mechanism, we have designed novel anode materials for LIBs, consisting of nano-transition metal and lithium oxide particles. The composites exhibit excellent rate performance, maintaining a specific capacity of 29% of the stabilized capacity at 6 A g−1. Since neither metallic iron nor lithium oxide has lithium storage capacity, the lithium storage behavior of the composites is mainly related to the interface. Moreover, the interface facilitates the improvement of the ion diffusion ability and pseudocapacitance percentage of the composite material. This study provides new horizons for designing anode materials for high power density LIBs.

Exploring the potential of MB2 MBene family as promising anodes for Li-ion batteries.

In recent years, finding high-performance energy storage materials has become a major challenge for Li-ion batteries. B-based two-dimensional materials have become the focus of attention because of their abundant reserves and non-toxic characteristics. A series of two-dimensional transition metal borides (MBenes) are reported and their electrochemical properties as anode materials for Li-ion batteries are investigated by density functional theory (DFT) calculations. The surface of MB2 possesses medium adsorption strength and diffusion energy barrier for Li atoms, which are conducive to the insertion and extraction of Li-ions during the charge/discharge process of Li-ion batteries. Herein, we explore the potential of MB2 (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, Mn, Fe, Co, Ni, Cu and Zn) as the anode material for LIBs. Excitingly, the Li atom can be stably adsorbed on the surface of MB2 (M = Sc, Ti, V, Nb, Mo, W) monolayers, and the theoretical capacity of the MB2 monolayer is high (521.77-1610.20 mA h g-1). The average open circuit voltage range is within 0.10-1.00 V (vs. Li/Li+). The relationship between the p-band center of the B atom and the adsorption energy of Li on the surface of MB2 is also investigated. Furthermore, it is found that the charge transfer of Li atom and metallic center in the most stable position is strongly related to the corresponding value of diffusion energy barrier. These results confirm that MB2 monolayers are promising 2D anode materials for Li-ion batteries, demonstrating the application prospects of B-based 2D materials.

Molten salt modulation of porous MoP@PC nanosheets as an ultra-stable anode for lithium-ion batteries.

MoP, which possesses good conductivity and electrochemical activity, presents outstanding electrochemical performance when serving as an anode material for LIBs, yet it still suffers from rapid capacity attenuation because of its large volume change and inferior diffusion kinetics. Here, we employed a facile and scalable molten salt method to fabricate in situ sheet-like porous P-doped carbon-supported MoP nanoparticles (MoP@PC). The porous structure exhibits a high specific active surface area, which exposes more active sites and facilitates effective contact between the electrolyte and molybdenum phosphide, thereby limiting irreversible volume changes after electrochemical reactions and prolonging the battery cycle life. Compared with previous methods, this synthetic route avoids the use of toxic phosphorus sources and acids, which is green and environmentally friendly, and the reaction conditions can be adjusted, which is easy to be promoted. Thus, the MoP@PC cathode could achieve a capacity of 306 mA h g-1 at a high current density of 10 A g-1 and could run for 3500 cycles with a reduced decay rate. This work demonstrates a successful method for designing anode materials for LIBs.

BlueP encapsulated Janus MoSSe as a promising heterostructure anode material for LIBs.

In this work, the significance of BlueP-Janus MoSSe heterostructures in LIBs is explored in detail by using density functional theory calculations. The Janus MoSSe possesses two different atomic layers, and hence two different heterostructures, BlueP-SMoSe and BlueP-SeMoS, are taken into account. The heterostructure formation energies are computed to check their stability. Besides, ab initio molecular dynamics simulations and phonon studies are done to check their thermal and dynamical stabilities, respectively. The adsorption and diffusion of Li at different surfaces of both the heterostructures are calculated. Our study reveals that the heterostructures show strong Li intercalation capability with ultrafast Li diffusion barrier energies. The electronic properties of the lithiated heterointerfaces are also explored. Both the heterostructures can hold a maximum of two layers of Li ions on each side of both BlueP and MoSSe to give a large storage capacity, signifying their extraordinary potential to be appropriate as an anode material for Li-ion batteries. Additionally, due to their strong mechanical strength, the 2D BlueP-Janus MoSSe heterostructures can withstand massive volume expansion during the lithiation-delithiation reaction, which is remarkably beneficial for manufacturing flexible anodes. Based on the above findings, the newly designed heterostructures are expected to open a new avenue for the next generation of electronic devices.

One pot synthesis of polyoxometalate@polyaniline/MXene/CNTs quaternary composites with a 3D structure as efficient electrode materials for Li-ion batteries applications

Double transition metal carbides (MXenes) are considered promising candidates for a good electrode material because of their enormous specific surface area, metallic conductivity and hydrophilicity. However, their low capacity, easy oxidation and self-restacking restrict their large-scale application. In this paper, we selected Mo2TiC2Tx MXene as the conductive carrier of polyoxometalate (POM), carbon nanotubes (CNTs) as the linker to construct a novel POM@polyaniline (PANI)/Mo2TiC2Tx/CNTs quaternary composites (denoted as PPMC) with a unique 3D structure by using a facile one pot synthesis strategy. The PPMC with unique 3D structure as an anode material for LIBs exhibits superior lithium storage capacity (621 mAh g−1 at 0.1 A g−1) and promising cyclic stability (445 mAh g−1 after 1000 periods at 1.0 A g−1) and good rate capability. The enhanced performance is mainly attributed to the synergistic effect between components. Our work provides an effective strategy to improve the reversibility and cycling stability of electrode materials for LIBs, which will contribute some reference value to the development of high-performance MXene based electrode materials.

One-dimensional van der Waals transition metal chalcogenide as an anode material for advanced lithium-ion batteries

1D vdW Nb2Se9 is a promising advanced anode material for LIBs due to superior electrochemical performance originating from its unique structural properties, which allow swift transport of Li ions and buffer the volume changes during Li-ion storage.

Highly Porous Fe3O4/Graphene Aerogels for Enhanced Lithium Storage

A facile and green method was adopted to produce iron oxide/graphene composite which can be used as free-standing and additive-free electrodes in lithium-ion batteries. In the synthesis process, after graphene oxide and FeCl3 being mixed in aqueous media and subsequently being freeze-dried into the form of aerogel, FeCl3 reacts with epoxy groups on graphene oxide under N2 to from Fe3O4 nanoparticles and simultaneously reduce graphene oxide in the heat treatment, leaving behind a hierarchically porous graphene matrix on which Fe3O4 nanoparticles were uniformly dispersed. Such composite products, featured by its high porosity and homogeneous distribution of Fe3O4 nanoparticles, showed an enhancement in the electrochemical performance when used as anode materials in lithium-ion batteries. This work investigated the role of preparation parameters including the weight ratio of Fe3O4/graphene and heating temperature in affecting the electrochemical performance of as-prepared electrode. F1G2-600 presented a high reversible capacity of 1224 mAh/g at 0.1 A/g with the Coulombic efficiency of 73.8% in the first cycle. In the long-term test, F1G2-600 still delivered a remaining capacity of 573.8 mAh after 1000 cycles at 1 A/g with a retention rate of 82.8%. Therefore, this easily fabricated Fe3O4/graphene composite with high capacity and desirable durability holds promise in the scalable application as anode materials in high-power LIBs.

The Research of Different Strategies to Enhance Coulombic Efficiency of Sn/SnOx Modified TiO2 As Anode Material in Lithium-Ion Battery By in Operando Analytical Techniques

In recent years, electrochemical energy storage technologies had become global concerns due to the emergent need for electric vehicles and portable electronics. Recently, Lithium ion batteries cannot meet the requirements of gravimetric/volumetric energy density, rate capability, cycling stability, and safety in various applications. As one of the most promising anode materials for LIBs, titanium dioxide(TiO2) has received considerable attention due to its superior cycling stability, rate performance, low cost, environmental friendliness, and safety compared to traditional graphite anode. However, the major challenges of this material are poor electronic/ionic conductivity and poor theoretical capacity. In order to overcome this issue, our research has been modifying high-capacity material (e.g., Sn/SnOx) into TiO2 with an eye to promoting its capacity. Modifying Sn/SnOx into TiO2 reduces the impedance and increases the Li-ion diffusion rate. The Sn@TiO2 is synthesized by the chemical bath with Sn(BF4)2, HBF4, Na2S2O3 and TiO2 (rutile and anatase mixed phase) followed by annealing at different temperature. From the TEM and XRD results, we had successfully synthesized Sn@TiO2 core-shell structure. The table below shows that the serious fading problem of Sn@TiO2 during the first and second cycle. Active lithium loss(ALL) in the initial charge process causes irreversible capacity of LIBs due to the formation of unstable solid electrolyte interface (SEI) layer on the electrode surface. To solve the problem, pre-lithiation has been widely accepted as one of the most promising strategies to compensate for active lithium loss. Our group is about to trying various pre-lithiation techniques, such as electrochemical and chemical pre-lithiation and using in operando XRD/Raman to point out the mechanism of SEI layers. The ultimate goal would be giving out advantages and challenges of each one then finding out the optimal approach to improve cycling performance of tin-based anodes in lithium-ion batteries. Figure 1

Amorphous Fe2O3 Porous Films Grown on Multilayer Graphene for High-Performance LIB Anodes

Amorphous Fe2O3 has special high electrochemical performance as anode materials of LIBs due to its disorderly arranged atoms. However, the issue of its low intrinsic electric conductivity should be solved rationally and facilely. In this work, amorphous Fe2O3 porous films are chemically deposited on the mechanically exfoliated multilayer graphene (MLG) nanosheets, forming a Fe2O3/MLG/Fe2O3 sandwich nanostructure. The addition of 10[Formula: see text]mg of EDTA-2Na is crucial for the formation of amorphous nature and holes in Fe2O3 films on MLG. This composite exhibits better electrochemical performance as LIB anodes than well-crystallized Fe2O3 nanoparticles, amorphous Fe2O3 films without holes and amorphous Fe2O3 isolated nanoparticles on MLG, which are prepared using 0[Formula: see text]mg, 5[Formula: see text]mg, 20[Formula: see text]mg of EDTA-2Na, respectively. The optimized composite delivers a reversible discharge capacity of 1067[Formula: see text]mAh g[Formula: see text] at 100[Formula: see text]mA g[Formula: see text] after 100 cycles. Moreover, a capacity of 522 mAh g[Formula: see text] is delivered at a high current density of 2[Formula: see text]A g[Formula: see text]. The high electrochemical performance of the composite is attributed to the amorphous nature and porous film structure of Fe2O3, and well combination of Fe2O3 and highly conductive MLG substrate.

Tetragonal BN monolayer: A high-performance anode material for lithium-ion batteries

Searching for high-performance anode materials with fast charge-discharge rates, high specific capacity, low open circuit voltages, and good reversibility has attracted much attention over the past few decades. Herein, based on first-principles calculations, the performance of t-BN monolayer as an anode material for Li-ion batteries is investigated. The excellent stretchability of t-BN monolayer makes it good reversibility in the case of volume expansion caused by full adsorption. Additionally, t-BN monolayer with Li-adsorbed possesses metallic behavior, indicating excellent electrical conductivity. Furthermore, t-BN monolayer exhibits well-balanced performances with a low diffusion energy barrier (0.35 eV), a high specific capacity (1620 mA h g−1), an appropriate average open-circuit voltage (0.49 V), and small lattice constants change (2.5%). Finally, solvent effects are considered. The adsorption of Li-ions becomes more stable as dielectric constant of the solvent increases. Based on the above excellent properties, we speculate that t-BN monolayer can act as a promising anode material for LIBs.