Analysis of Charge Transfer for in Situ Li Intercalated Carbon Nanotubes

Kuldeep Rana, Gokce Kucukayan-Dogu, H. Sener Sen, Chris Boothroyd, Oguz Gulseren, Erman Bengu

Research output: Contribution to journalArticlepeer-review

26 Scopus citations


Vertically aligned carbon nanotube (VA-CNT) arrays have been synthesized with lithium (Li) intercalation through an alcohol-catalyzed chemical vapor deposition technique by using a Li-containing catalyst. Scanning electron microscopy images display that synthesized carbon nanotubes (CNTs) are dense and vertically aligned. The effect of the Li-containing catalyst on VA-CNTs has been studied by using Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and electron energy loss spectroscopy (EELS). XPS results show the change in binding energy of Li 1s and C 1s peaks, which indicates that Li is inserted in VA-CNTs during growth. Analysis of Raman spectra reveals that the G-band profile of CNTs synthesized with the Li-containing catalyst is shifted, suggesting an electronic interaction between Li and neighboring C atoms of the CNTs. The EELS spectra of the C K edge and Li K edge from CNTs also confirmed that Li is inserted into CNTs during synthesis. We have performed ab inito calculations based on density functional theory for a further understanding of the structural and electronic properties of Li intercalated CNTs, especially addressing the controversial charge-transfer state between Li and C. © 2012 American Chemical Society.
Original languageEnglish (US)
Pages (from-to)11364-11369
Number of pages6
JournalThe Journal of Physical Chemistry C
Issue number20
StatePublished - May 15 2012
Externally publishedYes

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: We thank Dr. Li Kun at KAUST for the use of TEM facilities and the Scientific and Technological Research Council of Turkey (Tubitak) for financial support.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.


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