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The internal composition of lithium-ion batteries mainly consists of positive electrode, electrolyte, separator, electrolyte, and negative electrode. Based on this, the electrode ears are welded, and the outer packaging is wrapped to form a complete battery cell. After the battery cell undergoes initial charging and discharging, and is converted into a partial capacity exhaust, it can be used at the factory. The first step in this process is the selection of materials. The main factors affecting the safety of materials are their intrinsic orbital energy, crystal structure, and material properties.

cathode material

The main role of positive electrode active materials in batteries is to contribute specific capacity and specific energy, and their intrinsic electrode potential has a certain impact on safety. For example, in recent years, China has widely used the low-voltage material LiFePO4 (lithium iron phosphate) as the positive electrode material for power batteries in transportation vehicles (such as hybrid electric vehicles (HEVs), electric vehicle EVs), and energy storage equipment (such as uninterruptible power supplies (UPS)). However, the safety advantage demonstrated by LiFePO4 in many materials is actually at the cost of sacrificing energy density, which means it will restrict its users (such as EVs, UPS) The battery life of the vehicle. Although ternary materials such as NMC (LiNixMnyCo1-x-yO2) exhibit excellent energy density, as ideal positive electrode materials for power batteries, safety issues have not been fully addressed. In order to study the thermal behavior of positive electrode materials, researchers have done a lot of work and found that the intrinsic electrode potential and crystal structure are the main factors affecting their safety, such as electrode potential μ Whether the electrochemical window of C and electrolyte occupies the highest orbital HOMO perfectly matches, and whether multiple lithium ions can smoothly pass through the lattice simultaneously... By selecting the type of material and doping elements, the safety performance of the positive electrode active material can be enhanced.

Negative electrode material

The impact of negative electrode active materials on safety performance mainly comes from their intrinsic orbital energy and the configuration relationship of electrolytes LUMO and HOMO. During the fast charging process, the speed of lithium ion passing through the SEI (solid electrolyte interface) film may be slower than the deposition speed of lithium on the negative electrode. The lithium dendrites will grow continuously with the charging and discharging cycle, which may lead to internal short circuit and ignite the combustible electrolyte to cause thermal runaway, which limits the safety of the negative electrode during the fast charging process. Only when the difference between the negative electromotive force of lithium alloy with carbon containing materials as the buffer layer and the electromotive force of lithium is less than -0.7Ev, i.e μ A< μ Only under the condition of Li0.7eV can the deposition of lithium be guaranteed not to cause short circuits. For safety reasons, power batteries should use negative electrode materials with an electromotive force less than 1.0 eV (relative to Li+/Li0) to achieve safe fast charging or to control the charging voltage within a range far below the deposition potential of lithium. Li4Ti5O12 has safety advantages in the fields of fast charging and discharging, as its electromotive force is 1.5 eV (relative to Li+/Li0), which is lower than the LUMO of the electrolyte. There is also a negative electrode material Ti0.9Nb0.1Nb2O7, which can quickly charge and discharge for more than 30 cycles at a voltage of 1.3 ≤ V ≤ 1.6V (relative to Li+/Li0), and has a specific capacity of 300mAhg1, higher than LTO. During the discharge process, the fast discharge process is safe because there is no competition between the speed of lithium ions passing through the SEI film and depositing on the negative electrode.

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