Electronic and electrochemical properties of Li-doped carbon nanotube–zeolite complex
Literature Information
Y. W. Wen, H. J. Liu, L. Miao, L. Pan, J. Shi
The electronic and electrochemical properties of Li-doped carbon nanotube–zeolite complex are studied by first-principles calculations. There are four possible sites for Li to be doped and the reactions are all exothermic. The corresponding energy band structures follow a rigid band picture and there are charge transfers from Li to the nanotube and/or zeolite. The Li capacity of the complex can be reached to 386 mAh g−1 with only a slight increase in the cell volume, and the complex may be of good cyclic stability during the charge and discharge process. Moreover, a higher voltage of about 4 V can be obtained if the complex is used in an Li-ion battery.
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