DC Field | Value | Language |
---|---|---|
dc.contributor.author | Han, Sang Soo | ko |
dc.contributor.author | Kim, Hyungjun | ko |
dc.contributor.author | Park, Noejung | ko |
dc.date.accessioned | 2013-03-13T04:28:28Z | - |
dc.date.available | 2013-03-13T04:28:28Z | - |
dc.date.created | 2012-03-07 | - |
dc.date.created | 2012-03-07 | - |
dc.date.issued | 2011-12 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY C, v.115, no.50, pp.24696 - 24701 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | http://hdl.handle.net/10203/104463 | - |
dc.description.abstract | Using density functional theory calculations, we have investigated a strategy for the facile hydrogenation of graphene. We show that the presence of polar hydride molecules, such as H(2)O, HF, and NH(3) (physisorbed molecules that mediate/assist the migration of atomic H adatoms on graphene, named "shuttle gases" in the present work), can provide a favorable catalytic effect (lowering the H migration barrier) and a favorable thermodynamic effect (activating the direct transition to the second-nearest-neighbor site). In comparison with the widely known fact that the migration of chemisorbed H is kinetically unfavorable on graphene, this mechanism for shuttling catalysis provides an easier migration channel. We propose that randomly distributed hydrogen adatoms on graphene can transform into a compactly aggregated hydrogenation domain (similar to graphane, as suggested in the literature) by heat treatment in the presence of a shuttling catalyst. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | TRANSITION-STATES | - |
dc.subject | PROTON AFFINITIES | - |
dc.subject | ATOMIC-HYDROGEN | - |
dc.subject | SPILLOVER | - |
dc.subject | MECHANISM | - |
dc.subject | GRAPHITE | - |
dc.subject | H2O | - |
dc.subject | NH3 | - |
dc.title | Effect of Shuttling Catalyst on the Migration of Hydrogen Adatoms: A Strategy for the Facile Hydrogenation of Graphene | - |
dc.type | Article | - |
dc.identifier.wosid | 000297947700034 | - |
dc.identifier.scopusid | 2-s2.0-84863116480 | - |
dc.type.rims | ART | - |
dc.citation.volume | 115 | - |
dc.citation.issue | 50 | - |
dc.citation.beginningpage | 24696 | - |
dc.citation.endingpage | 24701 | - |
dc.citation.publicationname | JOURNAL OF PHYSICAL CHEMISTRY C | - |
dc.identifier.doi | 10.1021/jp209934z | - |
dc.contributor.localauthor | Kim, Hyungjun | - |
dc.contributor.nonIdAuthor | Han, Sang Soo | - |
dc.contributor.nonIdAuthor | Park, Noejung | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | TRANSITION-STATES | - |
dc.subject.keywordPlus | PROTON AFFINITIES | - |
dc.subject.keywordPlus | ATOMIC-HYDROGEN | - |
dc.subject.keywordPlus | SPILLOVER | - |
dc.subject.keywordPlus | MECHANISM | - |
dc.subject.keywordPlus | GRAPHITE | - |
dc.subject.keywordPlus | H2O | - |
dc.subject.keywordPlus | NH3 | - |
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