Group IV graphene- and graphane-like nanosheets

Joelson C. Garcia, Denille B. De Lima, Lucy V.C. Assali, João F. Justo

Research output: Contribution to journalArticlepeer-review

222 Scopus citations

Abstract

We performed a first-principles investigation on the structural and electronic properties of group IV (C, SiC, Si, Ge, and Sn) graphene-like sheets in flat and buckled configurations and the respective hydrogenated or fluorinated graphane-like ones. The analysis on the energetics, associated with the formation of those structures, showed that fluorinated graphane-like sheets are very stable and should be easily synthesized in the laboratory. We also studied the changes of the properties of the graphene-like sheets as a result of hydrogenation or fluorination. The interatomic distances in those graphanelike sheets are consistent with the respective crystalline ones, a property that may facilitate integration of those sheets within three-dimensional nanodevices.

Original languageEnglish (US)
Pages (from-to)13242-13246
Number of pages5
JournalJournal of Physical Chemistry C
Volume115
Issue number27
DOIs
StatePublished - Jul 14 2011

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