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Issue 4, 2009
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Electronic and electrochemical properties of Li-doped carbon nanotube–zeolite complex

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Abstract

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.

Graphical abstract: Electronic and electrochemical properties of Li-doped carbon nanotube–zeolite complex

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Publication details

The article was received on 07 Aug 2008, accepted on 24 Sep 2008 and first published on 29 Oct 2008


Article type: Paper
DOI: 10.1039/B813716A
Phys. Chem. Chem. Phys., 2009,11, 632-635

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    Electronic and electrochemical properties of Li-doped carbon nanotube–zeolite complex

    Y. W. Wen, H. J. Liu, L. Miao, L. Pan and J. Shi, Phys. Chem. Chem. Phys., 2009, 11, 632
    DOI: 10.1039/B813716A

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