كوثر صادق

Lithium-ion batteries (LIBs), due to characteristics such as high energy density an‎d long cycle life, are recognized as one of the most important energy storage sources for various applications, including electronic devices, electric vehicles, an‎d energy storage systems. One of the main challenges in these batteries is improving the performance of cathode materials, since the cathode plays a crucial role in the capacity, stability, an‎d overall efficiency of the battery. Compounds with the formula Li₂MN₂ (M = Mo, Ni, V, Ti, Mn, Co, Fe) are investigated as promising cathode materials for this type of battery. In this research, the mentioned compounds are examined as new can‎didate materials. These compounds are studied in both lithium-absorbed an‎d lithium-desorbed states, considering spin polarization, using density functional theory (DFT) an‎d the Wien2k software package. After extracting the relevant plots an‎d analyzing the properties of these compounds, their performance as cathode materials for lithium-ion batteries is discussed.

باتري ليتيوم-يوني , الكترود , ماده كاتدي , نظريه تابع چگالي , ذخيره انرژي , جايگزيني فلزات واسطه

Lithium-ion battery , electrode , cathode material , density functional theory , energy storage , transition metals substitution

Kosar Sadegh

Amirhosein ahmadkhan kordbacheh- Fatemeh Dabbagh Kashani