Electronic and electrochemical properties of Li-doped carbon nanotube-zeolite complex.
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.
Wen
Y W
YW
Department of Physics and Key Laboratory of Acoustic and Photonic Materials and Devices, Ministry of Education, Wuhan University, Wuhan, 430072, China.
Liu
H J
HJ
Miao
L
L
Pan
L
L
Shi
J
J