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Graphitic carbon nitride nanotubes As Li-ion battery materials: A first-principles study
Pan H.
2014-05-08
Source PublicationJournal of Physical Chemistry C
ISSN19327455 19327447
Volume118Issue:18Pages:9318-9323
Abstract

First-principles calculations based on density functional theory are carried out to investigate the Li storage capability of graphitic carbon nitride nanotubes. The porous nanotubes provide unprecedented opportunity for energy storage due to their uniform size of pores in the wall and doubly bonded nitrogen at the edges of the pore. The calculations predict that the Li atoms can easily access the interior of the nanotube through the pores in the wall because of the low energy barrier and thus be stored both inside and outside of the nanotubes. The exothermic intercalation of Li further shows that g-C N nanotubes are suitable for Li storage. The Li density in bundles of nanotubes is predicted to be up to 0.57 (LiC N). The porous graphitic carbon nitride nanotubes are applicable in Li-ion battery with high density and stability. © 2014 American Chemical Society.

DOI10.1021/jp4122722
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry ; Materials Science ; Science & Technology - Other Topics
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS IDWOS:000335878900002
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Cited Times [WOS]:43   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
AffiliationUniversidade de Macau
First Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Pan H.. Graphitic carbon nitride nanotubes As Li-ion battery materials: A first-principles study[J]. Journal of Physical Chemistry C,2014,118(18):9318-9323.
APA Pan H..(2014).Graphitic carbon nitride nanotubes As Li-ion battery materials: A first-principles study.Journal of Physical Chemistry C,118(18),9318-9323.
MLA Pan H.."Graphitic carbon nitride nanotubes As Li-ion battery materials: A first-principles study".Journal of Physical Chemistry C 118.18(2014):9318-9323.
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