A TiSe monolayer as a superior anode for applications of Li/Na/K-ion batteries
Mengke Wang, Shan Wang, Yunye Liang, Yiqun Xie, Xiang Ye, Shoutian Sun
Abstract
, respectively. Fully charged TiSe was mechanically stable according to the calculated elastic constants. Our results show that the TiSe monolayer could be used as an excellent anode material for Li/Na/K-ion batteries.
Topics & Concepts
MonolayerAnodeIonMaterials scienceDensity functional theoryDiffusionAb initioPhysical chemistryNanotechnologyComputational chemistryChemistryThermodynamicsElectrodePhysicsOrganic chemistryAdvancements in Battery MaterialsAdvanced Battery Materials and Technologies2D Materials and Applications