Group IV Graphene- and Graphane-Like Nanosheets

• Published in: Journal of physical chemistry. C Vol. 115; no. 27; pp. 13242 - 13246
• Main Authors: Garcia, Joelson C, de Lima, Denille B, Assali, Lucy V. C, Justo, João F
• Format: Journal Article
• Language: English
• Published: American Chemical Society 14-07-2011
• Subjects: C: Nanops and Nanostructures
• ISSN: 1932-7447; 1932-7455
• DOI: 10.1021/jp203657w

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 graphane-like sheets are consistent with the respective crystalline ones, a property that may facilitate integration of those sheets within three-dimensional nanodevices.