Graphene/Li-Ion battery

Density function theory calculations were carried out to clarify storage states of Lithium (Li) ions in graphene clusters. The adsorption energy, spin polarization, charge distribution, electronic gap, surface curvature and dipole momentum were calculated for each cluster. Li-ion adsorbed graphene, doped by one Li atom is spin polarized, so there would be different gaps for different spin polarization in electrons. Calculation results demonstrated that a smaller cluster between each two larger clusters is preferable, because it could improve graphene Li-ion batteries; consequently, the most proper graphene anode structure has been proposed.Comment: 19 pages, 7 figures, 1 tabl

Cathode chemistries and electrode parameters affecting the fast charging performance of li-ion batteries

Li-ion battery fast-charging technology plays an important role in popularizing electric vehicles (EV), which critically need a charging process that is as simple and quick as pumping fuel for conventional internal combustion engine vehicles. To ensure stable and safe fast charging of Li-ion battery, understanding the electrochemical and thermal behaviors of battery electrodes under high rate charges is crucial, since it provides insight into the limiting factors that restrict the battery from acquiring energy at high rates. In this work, charging simulations are performed on Li-ion batteries that use the LiCoO2 (LCO), LiMn2O4 (LMO), and LiFePO4 (LFP) as the cathodes. An electrochemical-thermal coupling model is first developed and experimentally validated on a 2.6Ah LCO based Li-ion battery and is then adjusted to study the LMO and LFP based batteries. LCO, LMO, and LFP based Li-ion batteries exhibited different thermal responses during charges due to their different entropy profiles, and results show that the entropy change of the LCO battery plays a positive role in alleviating its temperature rise during charges. Among the batteries, the LFP battery is difficult to be charged at high rates due to the charge transfer limitation caused by the low electrical conductivity of the LFP cathode, which, however, can be improved through doping or adding conductive additives. A parametric study is also performed by considering different electrode thicknesses and secondary particle sizes. It reveals that the concentration polarization at the electrode and particle levels can be weaken by using thin electrodes and small solid particles, respectively. These changes are helpful to mitigate the diffusion limitation and improve the performance of Li-ion batteries during high rate charges, but careful consideration should be taken when applying these changes since they can reduce the energy density of the batteries

A high-power and fast charging Li-ion battery with outstanding cycle-life

Electrochemical energy storage devices based on Li-ion cells currently power almost all electronic devices and power tools. The development of new Li-ion cell configurations by incorporating innovative functional components (electrode materials and electrolyte formulations) will allow to bring this technology beyond mobile electronics and to boost performance largely beyond the state-of-the-art. Here we demonstrate a new full Li-ion cell constituted by a high-potential cathode material, i.e. LiNi0.5Mn1.5O4, a safe nanostructured anode material, i.e. TiO2, and a composite electrolyte made by a mixture of an ionic liquid suitable for high potential applications, i.e. Pyr1,4PF6, a lithium salt, i.e. LiPF6, and standard organic carbonates. The final cell configuration is able to reversibly cycle lithium for thousands of cycles at 1000 mAg-1 and a capacity retention of 65% at cycle 2000. © 2017 The Author(s)

Modelling Li+ Ion Battery Electrode Properties

We formulated two detailed models for an electrolytic cell with particulate electrodes based on a lithium atom concentration dependent Butler-Volmer condition at the interface between electrode particles and the electrolyte. The first was based on a dilute-ion assumption for the electrolyte, while the second assumed that Li ions are present in excess. For the first, we used the method of multiple scales to homogenize this model over the microstructure, formed by the small lithium particles in the electrodes. For the second, we gave rigorous bounds for the effective electrochemical conductivity for a linearized case. We expect similar results and bounds for the "full nonlinear problem" because variational results are generally not adversely affected by a sinh term. Finally we used the asymptotic methods, based on parameters estimated from the literature, to attain a greatly simplified one-dimensional version of the original homogenized model. This simplified model accounts for the fact that diffusion of lithium atoms within individual electrode particles is relatively much faster than that of lithium ions across the whole cell so that lithium ion diffusion is what limits the performance of the battery. However, since most of the potential drop occurs across the Debye layers surrounding each electrode particle, lithium ion diffusion only significantly affects cell performance if there is more or less complete depletion of lithium ions in some region of the electrolyte which causes a break in the current flowing across the cell. This causes catastrophic failure. Providing such failure does not occur the potential drop across the cell is determined by the concentration of lithium atoms in the electrode particles. Within each electrode lithium atom concentration is, to leading order, a function of time only and not of position within the electrode. The depletion of electrode lithium atom concentration is directly proportional to the current being drawn off the cell. This leads one to expect that the potential of the cell gradually drops as current is drawn of it. We would like to emphasize that all the homogenization methods employed in this work give a systematic approach for investigating the effect that changes in the microstructure have on the behaviour of the battery. However, due to lack of time, we have not used this method to investigate particular particle geometries

Synergistic multi-doping effects on the Li7La3Zr2O12 solid electrolyte for fast lithium ion conduction.

Here, we investigate the doping effects on the lithium ion transport behavior in garnet Li7La3Zr2O12 (LLZO) from the combined experimental and theoretical approach. The concentration of Li ion vacancy generated by the inclusion of aliovalent dopants such as Al(3+) plays a key role in stabilizing the cubic LLZO. However, it is found that the site preference of Al in 24d position hinders the three dimensionally connected Li ion movement when heavily doped according to the structural refinement and the DFT calculations. In this report, we demonstrate that the multi-doping using additional Ta dopants into the Al-doped LLZO shifts the most energetically favorable sites of Al in the crystal structure from 24d to 96 h Li site, thereby providing more open space for Li ion transport. As a result of these synergistic effects, the multi-doped LLZO shows about three times higher ionic conductivity of 6.14 × 10(-4) S cm(-1) than that of the singly-doped LLZO with a much less efforts in stabilizing cubic phases in the synthetic condition

Failure Detection for Over-Discharged Li-Ion Batteries

poster abstractLi-ion batteries are high density, slow loss of charge when not in use and no memory effect. Vast research on Li-ion batteries has been focusing on increasing the energy density, durability, and cost. Due to its advantages it has been widely used in consumer electronics and electric vehicles. Apart from its advantages, safety is a major concern for Li-ion batteries. The Li-ion safety issues have been widely publicized due to devastating incidents with laptop and cell phone batteries. Despite of much research towards the safety of Li-ion battery, it remains as a major concern related to Li-Ion batteries. A failure of Li-ion battery may result in thermal runaway. Li-ion battery failure may be due to overcharge, over-discharge, short circuits, particles poisoning, mechanical or thermal damage [1, 2]. Short circuit, overcharge, and over-discharge are the most common electrical abuses a battery suffers. This poster presents preliminary results for the failure signatures of over-discharged Li-ion batteries, and proposes a rule-based method and a probabilistic method for failure detection. The two methods Rule-based method and Probabilistic method are verified using experimental results for a Li-ion battery. The proposed methods were successfully implemented in a real-time system for failure detection and early warning