DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, EC | ko |
dc.contributor.author | Kim, YS | ko |
dc.contributor.author | Jin, YG | ko |
dc.contributor.author | Chang, Kee-Joo | ko |
dc.date.accessioned | 2013-03-04T21:46:14Z | - |
dc.date.available | 2013-03-04T21:46:14Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2002-08 | - |
dc.identifier.citation | PHYSICAL REVIEW B, v.66, no.7, pp.073415 - 073415 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | http://hdl.handle.net/10203/84267 | - |
dc.description.abstract | Based on first-principles theoretical calculations, we find that on pristine single-wall carbon nanotubes (SWNT's), the dissociative adsorption of H-2 molecules is severely suppressed due to very high energy barriers of about 3 eV, while H atoms have low-energy barriers less than 0.3 eV. On Li-doped SWNT's, the energy barriers for the dissociative adsorption of H-2 are lowered by about 0.3-0.5 eV due to the charge transfer to the tube, as compared to the pristine tube. However, these energy barriers are still too high for H-2 to be directly adsorbed, indicating that Li doping itself does not enhance significantly the H adsorption. On the other hand, LiH molecules are easily adsorbed and dissociated with no energy barrier. | - |
dc.language | English | - |
dc.publisher | AMERICAN PHYSICAL SOC | - |
dc.subject | ELECTROCHEMICAL STORAGE | - |
dc.subject | LITHIUM | - |
dc.subject | PSEUDOPOTENTIALS | - |
dc.title | First-principles study of hydrogen adsorption on carbon nanotube surfaces | - |
dc.type | Article | - |
dc.identifier.wosid | 000177969800041 | - |
dc.identifier.scopusid | 2-s2.0-0037104356 | - |
dc.type.rims | ART | - |
dc.citation.volume | 66 | - |
dc.citation.issue | 7 | - |
dc.citation.beginningpage | 073415 | - |
dc.citation.endingpage | 073415 | - |
dc.citation.publicationname | PHYSICAL REVIEW B | - |
dc.identifier.doi | 10.1103/PhysRevB.66.073415 | - |
dc.contributor.localauthor | Chang, Kee-Joo | - |
dc.contributor.nonIdAuthor | Lee, EC | - |
dc.contributor.nonIdAuthor | Kim, YS | - |
dc.contributor.nonIdAuthor | Jin, YG | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | ELECTROCHEMICAL STORAGE | - |
dc.subject.keywordPlus | LITHIUM | - |
dc.subject.keywordPlus | PSEUDOPOTENTIALS | - |
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