we optimized the geometries of the graphene and graphene with hydrogen using pw91vwn, pwcipl,mpwlyp, g96lyp, g96141.0-210.6-310, 6-31g*ievels of theory and compared our results with each other.we present the most important structural parameters determined for the addition of a hydrogen atom tographene and the outward movement of the carbon atom that is bonded to hydrogen is 0.48 a also wecalcul...

We optimized the geometries of the graphene and graphene with hydrogen using PW91VWN, PWCIPL,MPWLYP, G96LYP, G96141.0-210.6-310, 6-31G*Ievels of theory and compared our results with each other.We present the most important structural parameters determined for the addition of a hydrogen atom tographene and the outward movement of the carbon atom that is bonded to hydrogen is 0.48 A Also wecalcul...

G raphene, a single, one-atom-thick sheet of carhon atoms arranged in a honeycomh lattice, is the twodimensional building block for carbon materials of every other dimensionality. It can be stacked into 3D graphite, rolled into ID nanotubes, or wrapped into OD buckyballs. But for decades scientists presumed that a single 2D graphene sheet could not exist in its free state; they reasoned that it...