Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/97446
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dc.contributor.authorLi, Fengen
dc.contributor.authorKan, Erjunen
dc.contributor.authorLu, Ruifengen
dc.contributor.authorXiao, Chuanyunen
dc.contributor.authorDeng, Kaimingen
dc.contributor.authorSu, Haibinen
dc.date.accessioned2013-06-27T01:26:54Zen
dc.date.accessioned2019-12-06T19:42:52Z-
dc.date.available2013-06-27T01:26:54Zen
dc.date.available2019-12-06T19:42:52Z-
dc.date.copyright2012en
dc.date.issued2012en
dc.identifier.citationLi, F., Kan, E., Lu, R., Xiao, C., Deng, K., & Su, H. (2012). Unzipping carbon nanotubes into nanoribbons upon oxidation: A first-principles study. Nanoscale, 4(4), 1254-1257.en
dc.identifier.issn2040-3364en
dc.identifier.urihttps://hdl.handle.net/10356/97446-
dc.description.abstractFirst-principles calculations are performed to investigate the unzipping mechanism of carbon nanotubes (CNTs) into narrow graphene nanoribbons (GNRs) upon oxidation. By treating possible adsorptive structures, we found that, upon further oxidation, epoxy pairs tear the CNT up with an initial energy barrier of 0.59 eV (armchair) and 0.60 eV (zigzag), and the following steps of unzipping CNT become much easier because of the stress induced by the carbonyl pair. However, for zigzag CNTS, the unzipped edge structures of nanoribbons cannot be controlled, because of the similar stability of different oxidation process, which means zigzag CNTs should be avoided in producing high-quality GNRs.en
dc.language.isoenen
dc.relation.ispartofseriesNanoscaleen
dc.rights© 2012 The Royal Society of Chemistry.en
dc.titleUnzipping carbon nanotubes into nanoribbons upon oxidation : a first-principles studyen
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science & Engineeringen
dc.identifier.doi10.1039/c2nr11350cen
item.fulltextNo Fulltext-
item.grantfulltextnone-
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