The structural and electronic properties of the hydrogenated porous graphene nanoribbons were studied by using density functional theory calculations. The results show that the hydrogenated porous graphene nanoribbons are energetically stable. The effects of ribbon type and ribbon width on the electronic properties of these nanoribbons were investigated. It was found that both armchair and zigz...

importance of covalent bonded two-dimensional monolayer nanostructures and also hydrocarbons is undeniably responsible for creation of new fascinating materials like polyphenylene polymer, a hydrocarbon super honeycomb network, so-called porous graphene. the mechanical properties of porous graphene such as its young’s modulus, poisson’s ratio and the bulk modulus as the determinative properties...

The present analytical study using thermodynamic methods for analysis of data from a number of theoretical and experimental works, devoted to the current problem of thermodynamic stability and related thermodynamic characteristics of the following graphene layers systems: 1) double-side hydrogenated graphene of composition CH theoretical graphane (Sofo et al. 2007) and experimental graphane (El...

The reactivity of hydrogenated graphene when treated with oxidising agents, KMnO4 and KIO4 , as well as alkylated with benzyl bromide (BnBr) was studied. The probed reactions are strictly limited to the partly hydrogenated form of graphene in which most of the hydrogen atoms are located in activated benzylic/allylic positions. This, in turn, clearly demonstrates the presence of hydrogen attache...

We investigate the effect of hydrogen coverage on the optical conductivity of single-side hydrogenated graphene from first-principles calculations. To account for different degrees of uniform hydrogen coverage we calculate the complex optical conductivity for graphene supercells of various sizes, each containing a single additional hydrogen atom. We use the linearized augmented plane wave metho...

Importance of covalent bonded two-dimensional monolayer nanostructures and also hydrocarbons is undeniably responsible for creation of new fascinating materials like polyphenylene polymer, a hydrocarbon super honeycomb network, so-called porous graphene. The mechanical properties of porous graphene such as its Young’s modulus, Poisson’s ratio and the bulk modulus as the determinative properties...

Plasma Enhanced Chemical Vapor Deposition (PECVD) and thermal CVD of graphene films, single-domain graphene dendrites, standing graphene structures, hybrid graphene-diamond nanoplatelets, and hybrid graphite-diamond coatings and their properties and applications will be reported. Grain-boundary engineering of CVD thin-film graphene, diamond, and their hybrids allows novel functions of these nan...

Using density functional theory calculations, we have investigated the effects of biaxial tensile strain on the electronic and magnetic properties of partially hydrogenated graphene (PHG) structures. Our study demonstrates that PHG configuration with hexagon vacancies is more energetically favorable than several other types of PHG configurations. In addition, an appropriate biaxial tensile stra...

Hydrogenation of graphene leads to local bond distortion of each hydrogenated carbon atom. Therefore, programmable hydrogenation of graphene can open up new pathways to controlling the morphology of graphene and therefore enable the exploration of graphene-based unconventional nanomaterials. Using molecular dynamics simulations, we show that single-sided hydrogenation can cause the scrolling of...