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 language | English (US) |
---|---|
Pages (from-to) | 13242-13246 |
Number of pages | 5 |
Journal | Journal of Physical Chemistry C |
Volume | 115 |
Issue number | 27 |
DOIs | |
State | Published - Jul 14 2011 |
Externally published | Yes |