| In order to study the structure and electrochemical performance of Al3+,Co3+,Y3+ doped LiMn2O4 in theory,the electronic structure of LiMn2O4 and its doping compounds are investigated by the method of the first principle.The lattice parameter,band structure,DOS are calculated.The results show that Al3+,Co3+,Y3+ doping can inhibit the Jahn-Teller deformation of Mn3+ effectively.Al3+,Co3+ doping can reduce the lattice parameter,and stabilize the crystal structure,and increase the cycle performance.Co3+,Y3+ dop... |