This work was supported of by the National Natural Science Foundation of China (No.20603028), the Project of Young Talents Innovation of Fujian Province (No.2005J005), and the Project of New Century Excel- lent Talent of Fujian Province.
The influence of Li intercalation on the electronic structures of oxygen and vanadium ions in α-V205 was investigated using first-principles calculations based on the density functional theory with local density appr...