The Dynamics Of Formation Of Graphane-like Fluorinated Graphene Membranes (fluorographene): A Reactive Molecular Dynamics Study

dc.creatorSantos R.P.B.
dc.creatorAutreto P.A.S.
dc.creatorLegoas S.B.
dc.creatorGalvao D.S.
dc.date2012
dc.date2015-06-26T20:29:33Z
dc.date2015-11-26T14:26:06Z
dc.date2015-06-26T20:29:33Z
dc.date2015-11-26T14:26:06Z
dc.date.accessioned2018-03-28T21:29:01Z
dc.date.available2018-03-28T21:29:01Z
dc.identifier9781605113210
dc.identifierMaterials Research Society Symposium Proceedings. , v. 1344, n. , p. 101 - 106, 2012.
dc.identifier2729172
dc.identifier10.1557/opl.2011.1358
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-83755178681&partnerID=40&md5=57b87187e311f9b13defc500541c6785
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/97071
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/97071
dc.identifier2-s2.0-83755178681
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1245975
dc.descriptionUsing fully reactive molecular dynamics methodologies we investigated the structural and dynamical aspects of the fluorination mechanism leading to fluorographene formation from graphene membranes. Fluorination tends to produce significant defective areas on the membranes with variation on the typical carbon-carbon distances, sometimes with the presence of large holes due to carbon losses. The results obtained in our simulations are in good agreement with the broad distribution of values for the lattice parameter experimentally observed. We have also investigated mixed atmospheres composed by H and F atoms. When H is present in small quantities an expressive reduction on the rate of incorporation of fluorine was observed. On the other hand when fluorine atoms are present in small quantities in a hydrogen atmosphere, they induce an increasing on the hydrogen incorporation and the formation of locally self-organized structure of adsorbed H and F atoms. © 2011 Materials Research Society.
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dc.languageen
dc.publisher
dc.relationMaterials Research Society Symposium Proceedings
dc.rightsfechado
dc.sourceScopus
dc.titleThe Dynamics Of Formation Of Graphane-like Fluorinated Graphene Membranes (fluorographene): A Reactive Molecular Dynamics Study
dc.typeActas de congresos


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