DC Field | Value | Language |
---|---|---|
dc.contributor.author | Han, SS | ko |
dc.contributor.author | Lee, SH | ko |
dc.contributor.author | Kang, Jeung-Ku | ko |
dc.contributor.author | Lee, HyuckMo | ko |
dc.date.accessioned | 2007-12-12T07:16:20Z | - |
dc.date.available | 2007-12-12T07:16:20Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2005-09 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.72, no.11, pp.487 - 495 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/2442 | - |
dc.description.abstract | The binding energy of hydrogen atoms to a (10,0) single-walled boron nitride nanotube (SWBNNT) is calculated at 25%, 50%, 75%, and 100% coverage using the density functional theory. The average binding energy is highest at 50% coverage when the H atoms are adsorbed on the adjacent B and N atoms along the tube axis and the value is -53.93 kcal/mol, which is similar to half of the H - H binding energy. Also, the band gap (-4.29 eV) of the pristine (10,0) SWBNNT is decreased up to -2.01 eV for the H-adsorbed BNNT with 50% coverage. | - |
dc.description.sponsorship | This research was supported by Grant No. 04K1501- 02210 from the Center for Nanostructured Materials Technology under the 21st Century Frontier R&D Programs of the Ministry of Science and Technology, Korea. | en |
dc.language | English | - |
dc.language.iso | en_US | en |
dc.publisher | AMER PHYSICAL SOC | - |
dc.subject | CARBON NANOTUBE | - |
dc.subject | MOLECULES | - |
dc.subject | ENERGY | - |
dc.subject | PLANE | - |
dc.title | High coverage of hydrogen on a (10,0) single-walled boron nitride nanotube | - |
dc.type | Article | - |
dc.identifier.wosid | 000232229100029 | - |
dc.identifier.scopusid | 2-s2.0-29744460275 | - |
dc.type.rims | ART | - |
dc.citation.volume | 72 | - |
dc.citation.issue | 11 | - |
dc.citation.beginningpage | 487 | - |
dc.citation.endingpage | 495 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.72.113402 | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kang, Jeung-Ku | - |
dc.contributor.localauthor | Lee, HyuckMo | - |
dc.contributor.nonIdAuthor | Han, SS | - |
dc.contributor.nonIdAuthor | Lee, SH | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | CARBON NANOTUBE | - |
dc.subject.keywordPlus | MOLECULES | - |
dc.subject.keywordPlus | ENERGY | - |
dc.subject.keywordPlus | PLANE | - |
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