Abstract
In this work, ab initio studies of a novel two-dimensional diamond-like nanostructure consisting of two polymerized graphenes are carried out. This nanostructure called binary graphane has a two-dimensional hexagonal lattice with the parameter a = 0.2737 nm. The surface density, cohesive energy and indirect band gap of binary graphane are 0.123 μg/cm2, 6.64 eV/atom and 2.83 eV, respectively. It is also established that this layer must be stable up to 200 K.
Export citation and abstract BibTeX RIS
Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.