Functionalization of Graphene Grown on Metal Substrate with Atomic Oxygen: Enolate vs Epoxide.
Graphene functionalization is of great importance in applying graphene as a component in functional devices or in activating it for use as a catalyst. Here we reveal that atomic oxidation of epitaxial graphene grown on a metal substrate results in the formation of enolate, i.e., adsorption of atomic...
| Publicado en: | Journal of the American Chemical Society Vol. 136; no. 24; pp. 8528 - 8532 |
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| Autores principales: | , , , |
| Formato: | Artículo |
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American Chemical Society
6/18/2014
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=96952971&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 96952971 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 6/18/2014 vid: 136 iid: 24 pid: 997 pub: American Chemical Society artinfo: ui: 96952971 10.1021/ja503664k ppf: 8528 ppct: 4 formats: tig: atl: Functionalization of Graphene Grown on Metal Substrate with Atomic Oxygen: Enolate vs Epoxide. aug: au: Jaehoon Jung Hyunseob Lim Junepyo Oh Yousoo Kim affil: Surface and Interface Science Laboratory, RIKEN, Wako, Saitama 351-0198, Japan su: Graphene Biochemical substrates Oxygen Enolates Epoxy compounds Density functional theory Photosynthetic oxygen evolution Adsorption (Chemistry) sug: subj: Graphene Biochemical substrates Oxygen Enolates Epoxy compounds Density functional theory Photosynthetic oxygen evolution Adsorption (Chemistry) ab: Graphene functionalization is of great importance in applying graphene as a component in functional devices or in activating it for use as a catalyst. Here we reveal that atomic oxidation of epitaxial graphene grown on a metal substrate results in the formation of enolate, i.e., adsorption of atomic oxygen at the on-top position, on the basal plane of a graphene, using periodic density functional theory calculations. This is striking because the enolate corresponds to the transition state between the epoxides on free-standing graphene and on graphite. Improved interfacial interaction between graphene and the metal substrate during atomic oxidation makes the graphene enolate a local minimum and further highly stabilizes it over the graphene epoxide. Our results provide not only a novel perspective for a chemical route to functionalizing graphene but also a new opportunity to utilize graphene enolate for graphene-based applications. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2014 holdings: @attributes: islocal: N |
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