First-principles investigations on delithiation of Li4NiTeO6

Jie Bao1, Dihua Wu, Qing Tang

  • 1Tianjin Key Laboratory of Metal and Molecule Based Material Chemistry, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Computational Centre for Molecular Science, Institute of New Energy Material Chemistry, Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Nankai University, Tianjin 300071, China. zhouzhen@nankai.edu.cn.