Electrodes For Metal-ion Batteries Research Articles

Prospects of ruthenate-based electrodes in metal-ion batteries

Advancements in energy storage technology have led to the exploration of novel functional materials that have been at the heart of materials science, especially in this century.

Features of ion exchange between the electrodes in metal-ion batteries during discharge

The importance and relevance of the storage of electrical energy is confirmed by events in the world and trends in the development and use of various electrical energy systems, household appliances, computer equipment, communication devices, etc. In addition to the growth of the metal-ion battery markets, there are trends towards a search for metals that in the future will be inexpensive and will have characteristics required for storage systems. This paper considers ion exchange between the electrodes of metal-ion batteries whose charge carriers are metal ions, which diffuse in the process of discharge from the negative electrode to the positive one. A mathematical model was developed and tested. The model is based on a system of diffusion transport equations with the Nernst–Planck–Poisson potential equation replaced by an equivalent conductivity potential equation. Quasi-equilibrium regimes are considered. The entire working area consists of a pore electrode space and a neutral separator. The mathematical model employed consists of potential distribution equations and an electrolyte concentration distribution equation supplemented by the dependence of the electrode surface current on the overvoltage and equations that determine the electrode pore structure depending on the masses transferred inside the electrode. The electric potential and diffuse component mass transfer equations are written within the framework of the modern theory of effective electrical conductivity in batteries with account for current exchange between the solid electrodes and the liquid electrolyte. The research results showed the following. A change in the resistance of the separator (a change in porosity) has little effect, if any, on the electrode current densities, but it causes some change in the potentials themselves. A change in the resistance of the electrolyte affects both the electrode potentials and the internal current distribution between the electrodes and the electrolyte.

Layer-stacking of chalcogenide-terminated MXenes Ti2CT2(T = O, S, Se, Te) and their applications in metal-ion batteries

Owning to limited supply of lithium for Li-ion batteries, the development of non-Li-ion batteries (such as Na+, K+ Mg2+, Ca2+, and Al3+ ion batteries) has attracted significant research interest. In this work, by means of the first-principles calculations, we systematically investigated the performance of chalcogenide-terminated MXenes Ti2CT2 (T = O, S, Se, and Te) as electrodes for Li-ion and non-Li-ion batteries, as well as the layer-stacking and electronic properties of Ti2CT2. We find that the stacking type of O and Te terminated Ti2C multilayers with AA stacking differs from that of S and Se terminated Ti2C multilayers with AB stacking. More importantly, Ti2CO2 monolayer can be potential anode material for Na- and K-ion batteries with high capacities and very low diffusion barriers (0.03–0.11 eV), while Ti2CS2 and Ti2CSe2 are promising anode materials with relatively low average open circuit voltages (OCVs) for Na-, K-, and Ca-ion batteries (0.4–0.87 V). Among these materials, Ti2CS2 exhibits the largest ion capacity of 616 mAh g−1. These results of our work may inspire further studies of Ti2C-MXenes multilayers as electrodes for metal-ion batteries either experimentally or theoretically.

Halides (Cl, F, and Br) encapsulated Ga12As12 nanocages used to improve the cell voltage for enhanced battery performance

New and better materials with high energy density are of great concern to researchers. Therefore, the design and modeling of these materials is a growing area of research. In this study, DFT investigations have been carried out to enhance the cell voltage of metal-ion batteries (Li, Be, Na, Mg, K, and Ca-ion batteries) via endohedral encapsulation of halide ions inside gallium arsenide nanocages (Ga12As12). During their application as anode electrodes in metal-ion batteries, the pure and halide encapsulated Ga12As12 surfaces were studied. In order to investigate the effect of neutral and ionic interactions on the electrochemical and geometric properties, the binding energy (Eads) and quantum descriptors of the M/M+ ions in the Ga12As12 nanocage have been studied. Cell voltages of 0.10, 5.94, 0.14, 3.43, 0.66, and 1.97 V for pure Ga12As12 were obtained. Due to encapsulation, the change in the Gibbs free energy is ultimately increased and thereby, the cell voltage is enhanced for X-Ga12As12 (X = F, Cl and Br) with the maximum increment from 5.94 V to 7.79, 7.57, and 7.55 V observed in Be/F@Ga12As12, Be/Cl@Ga12As12,and Be/Br@Ga12As12, respectively. In addition, relatively greater cell voltages were obtained using Mg/F@Ga12As12, Mg/Cl@Ga12As12, and Mg/Br@Ga12As12 with cell voltages of 6.78, 6.75, and 6.73 V respectively. F−ion encapsulation exhibits better performance than Cl− and Br− ions. The Gibbs free energy (ΔG) and cell voltage (VCell) were also found to be significantly increased for alkali-earth metals when compared to alkali metals. This study provides conclusive scientific evidence that endohedral halide encapsulated Ga12As12 nanocages are excellent for Li, Be, Na, Mg, K, and Ca-ion batteries, especially Be, Mg, and Ca-ion batteries. Hence, they can be employed in coupling future metal-ion batteries used in hybrid electric vehicles, portable electronics, computer electronics, etc.

Ti3C2 MXene-derived Li4Ti5O12 nanoplates with in-situ formed carbon quantum dots for metal-ion battery anodes

Two-dimensional (2D) material Ti3C2 MXenes have recently been used in electrode composites for lithium-ion batteries (LIBs) for their excellent electrical conductivity and accordion-like nanosheet morphology. However, Ti3C2 has low specific capacity and fast degradation rate upon cycling after inevitably coupling with surface species during synthesis. In this work, Ti3C2 is used as Ti-source for Li4Ti5O12 (LTO) and C-source for carbon quantum dots (CQDs) in a one-step hydrothermal process. The resultant LTO product (M-LTO) inherits the nanosheet morphology of Ti3C2 with uniformly anchored CQDs. The highly electronic conductive CQDs optimize the transmission path of ions which reduces the diffusion barrier of ions, and they further increase the density of states of the material which effectively improving the conductivity of M-LTO. Remarkable electrochemical performances including high initial specific capacity, long lifetime and excellent low temperature capacity are demonstrated for this type of electrode in LIBs, sodium ion batteries (SIBs) and lithium-magnesium ion hybrid batteries (LMIHBs). This paper offers a new strategy to the rapidly expanding research on the application of transition metal MXenes in electrodes for metal-ion batteries.

Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination

Possibility of Silicon Nanocages as Anode Electrodes in Metal-Ion Batteries: Computational Examination

Generalized Theory for Diffusion-Induced Stress

The charging/discharging rate plays an important role in determining the structural integrity of metal-ion batteries, such as lithium-ion and sodium-ion batteries. In this work, we follow the approach by Green and Lindsay [Journal of Elasticity 2, 1 (1972)] and incorporate the contribution of the time derivative of the concentration of solute atoms to strain energy in Helmholtz and Gibbs free energies. Using the free energies, we obtain the chemical potential of the solute atoms and a generalized constitutive relation with the contribution of the concentration of the solute atoms and the time derivative of the concentration of the solute atoms. We use the generalized constitutive relation to analyze the stress evolution in an infinite, elastic cylinder under the condition that the stress-limited diffusion is negligible. The numerical results reveal that the term of the time derivative of the concentration of the solute atoms in the constitutive relation contributes to tensile hoop stress on the surface of the cylinder, which can initiate surface cracks and cause structural damage during the influx of the solute atoms. The generalized constitutive relation provides an approach to investigate the effect of charging/discharging rate on the structural integrity of electrodes in metal-ion batteries during electrochemical cycling.

Covalent Organic Frameworks as Electrode Materials for Metal Ion Batteries: A Current Review.

As the world moves toward electromobility, our daily lives are flooded with variety of lithium ion batteries (LIBs), and the concerns of cost, safety and environmental friendliness of LIBs spring up in the minds of scientists. Although organic electrodes have been considered as promising alternatives to their inorganic counterparts, some intrinsic weaknesses still plague scientists, such as high solubility, low conductivity and sluggish ion diffusion. The emergence of covalent organic frameworks (COFs) attracts our attention because of their robust networks and open pores that could facilitate the infiltration of electrolyte ions when used as electrodes for metal-ion batteries (MIBs). In this review, we summarized the recent progress of COFs as electrode materials, and the strategies toward enhancing electrochemical performance of COF-based electrode in MIBs are discussed. Hopefully, this review will provide a fundamental guidance for future development of COF-based electrodes.

Examination of properties of nanocages (B18N18 and B18P18) as anode electrodes in metal-ion batteries

Performance of B18N18 and B18P18 as anodes in metal-ion batteries (MIBs) were examined. Effects of halogen adoption of B18N18 and B18P18 as anodes in MIBs were examined. The B18P18 as anode in MIBs has larger potential than B18N18. The K-ion battery takes larger voltage of cell and performance than Na- and Li-ion batteries. The halogen adoption of B18N18 and B18P18 improves the cell voltage of MIBs. The storage capacities of B18N18 and B18P18 nanocages for Li-ion batteries are 893 and 795 mAh/g, respectively. The cell voltages of F-doped MIBs were larger than Br- and Cl-doped MIBs. The F-B17P18 as anode in K-ion battery proposed as novel MIBs with the highest performance.

Potential of Si14Ge14 and B14P14 nanocages as electrodes of metal-ion batteries: a theoretical investigation

In this study, the potential of Si14Ge14 and B14P14 as anode electrodes in metal-ion batteries by using of the density functional theory was investigated. The effects of halogen adsorption of the Si14Ge14 and B14P14 on potential of metal-ion batteries were examined. Results indicated that the B14P14 as anode in metal-ion batteries has higher potential than Si14Ge14. Results have shown that the K-ion battery has higher cell voltage and higher potential than Li-ion and Na-ion batteries. Results shown that the halogen adsorption of nanocages increases the cell voltage of studied metal-ion batteries. Results displayed that the F-metal-ion batteries have higher cell voltage and higher performance than Cl- and Br-metal-ion batteries. Finally, the F-B13P14 as anode electrode in the K-ion battery has the highest potential in industry.

Metaphosphate Class of Redox-Active Materials for Oxygen Evolution Reaction

The energy storage sector facilitates research on the development of novel electrodes for metal-ion batteries, and economic catalysts for metal-air batteries, fuel cells and water-splitting devices. In Li-ion batteries (LIB), after the great success of LiFePO4 as a cathode, phosphate-based materials have been extensively studied. LIB empower suites of portable electronics and (hybrid) electric vehicles, while for large-scale micro-to-mega stationary grid storage purposes a more economical option such as sodium-ion batteries (SIB) has been developed. In this quest, the viability of metaphosphate as a cathode for SIB has been recently explored where NaTM(PO3)3 [TM = Fe, Co] showed reversible Na+ (de)intercalation.

Freezing of Gelled Suspensions: a Facile Route toward Mesoporous TiO2 Particles for High-Capacity Lithium-Ion Electrodes

Electrodes for metal-ion batteries should combine high specific capacity with fast cycling-rate capability. Although the use of mesoporous particles is an attractive approach to reconciling these c...

DFT Investigation of the Potential of B21N21 and Al21P21 Nanocages as Anode Electrodes in Metal Ion Batteries

In present paper, the potential of B21N21 and Al21P21 nanocages as anode electrodes of Li-ion, Na-ion and K-ion batteries by using of density functional theory was investigated. The effects of adoption of B21N21 and Al21P21 nanocages with halogen atoms on potential of metal-ion batteries were examined. Results showed that Al21P21 as anode electrode in metal ion batteries has higher potential than B21N21. Results indicated that K-ion battery has higher cell voltage than Li-ion and Na-ion batteries. Results showed that adoption of B21N21 and Al21P21 with halogen atoms increased the cell voltage of metal-ion batteries. Results showed that F-doped metal-ion batteries have higher cell voltage than Cl- and Br-doped metal-ion batteries. It can be concluded that F–Al20P21 as anode electrode in metal-ion battery has higher potential than F–B20N21.

K-ion and Na-ion storage performances of Co3O4-Fe2O3 nanoparticle-decorated super P carbon black prepared by a ball milling process.

The hybridisation of Co3O4 and Fe2O3 nanoparticles dispersed in a super P carbon matrix is proposed as a favourable approach to improve the electrochemical performance (reversible capacity, cycling stability and rate capability) of the metal oxide electrodes in metal-ion batteries. Hybrid Co3O4-Fe2O3/C is prepared by a simple, cheap and easily scalable molten salt method combined with ball-milling and used in sodium-ion and potassium-ion batteries for the first time. The electrode exhibits excellent cycling stability and superior rate capability in sodium-ion cells with a capacity recovery of 440 mA h g-1 (93% retention) after 180 long-term cycles at 50-1000 mA g-1 and back to 50 mA g-1. In contrast, Co3O4-Fe2O3, Co3O4 and Fe2O3 electrodes display unsatisfactory electrochemical performance. The hybrid Co3O4-Fe2O3/C is also reactive with potassium and capable of delivering a reversible capacity of 220 mA h g-1 at 50 mA g-1 which is comparable with the most reported anode materials for potassium-ion batteries. The obtained results broaden the range of transition metal oxide-based hybrids as potential anodes for K-ion and Na-ion batteries, and suggest that further studies of these materials with potassium and sodium are worthwhile.

Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries.

We have investigated the stability, maximum intercalation capacity, and voltage profile of alkali metal intercalated hexagonal BC3 (MxBC3), for 0 < x ≤ 2 and M = Li, Na, and K. Our calculations, based on dispersion-corrected density functional theory, show that these intercalation compounds are stable with respect to BC3 and their bulk metal counterparts. Moreover, we found that among all MxBC3 considered, the maximum stable capacity corresponds to an x value of 1.5, 1, and 1.5 for Li, Na, and K, respectively. These values are associated with large gravimetric capacities of 572 mA h/g for Na and 858 mA h/g for Li and K. Importantly, we show that metal intercalated hexagonal BC3 has the advantage of a small open-circuit voltage variation of approximately 0.49, 0.12, and 0.16 V for Li, Na, and K, respectively. Our results suggest that BC3 can become a robust alternative to graphitic electrodes in metal ion batteries, thus encouraging further experimental work.