Analysis of Charge Transfer for in Situ Li Intercalated Carbon Nanotubes

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• 作者：Kuldeep Rana ; Gokce Kucukayan-Dogu ; H. Sener Sen ; Chris Boothroyd ; Oguz Gulseren ; Erman Bengu
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：May 24, 2012
• 年：2012
• 卷：116
• 期：20
• 页码：11364-11369
• 全文大小：392K
• 年卷期：v.116,no.20(May 24, 2012)
• ISSN：1932-7455

文摘

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.