download0 view93
twitter facebook

공공누리This item is licensed Korea Open Government License

dc.contributor.author
Nannan Li
dc.contributor.author
염민선
dc.date.accessioned
2019-08-28T07:41:16Z
dc.date.available
2019-08-28T07:41:16Z
dc.date.issued
2013-01-30
dc.identifier.issn
1932-7447
dc.identifier.uri
https://repository.kisti.re.kr/handle/10580/14118
dc.description.abstract
Despite intense studies of carbon nanotubes for decades, the separation of semiconducting and metallic single-walled carbon nanotubes (SWNTs) remains to be one of the most important tasks to be resolved. Here we demonstrate that a K atom binds the semiconducting SWNTs more strongly than the metallic SWNTs, while this binding strength hierarchy is reversed for a K+ ion, consistent with experimental reports. This was shown by first-principles calculations, which properly describe the van der Waals interactions, and the origin of such results is explained. These results could be exploited as useful guidance toward separating semiconducting and metallic SWNTs via noncovalent functionalization.
dc.language
eng
dc.relation.ispartofseries
The journal of physical chemistry. C, Nanomaterials and Interfaces
dc.title
Noncovalent Functionalization with Alkali Metal to Separate Semiconducting from Metallic Carbon Nanotubes: A Theoretical Study
dc.identifier.doi
10.1021/jp3123902
dc.subject.keyword
Semiconducting
dc.subject.keyword
Nanotube
Appears in Collections:
7. KISTI 연구성과 > 학술지 발표논문
Files in This Item:
There are no files associated with this item.

Browse