| Why and how the zigzag edge of suspended graphene sheet where deformed |
| Paper ID : 2396-UFGNSM13-FULL (R1) |
| Authors: |
|
Farhang Sohilian Islamic Azad University Tehran North Branch |
| Abstract: |
| The edge of graphene plays an important role in electronic and spintronic properties of graphene. As we know in many article zigzag edge used as stable edge but this edge cannot be true edge. When the graphene sheet is cut, bonds are broken along this line and electrons that participate in bond be free, so there is electron density gradient along the edge. Because of this the carbon atoms along the edge is moved till the stable structure be established. For achieving to this specific structure, density functional theory was used via Gaussian package. The result shows hexagons on the edge are going to deform to pentagon and heptagon by change the kind of bond in this chain. In the other zigzag chain behind the edge we have movement of electron density from one carbon atom to another carbon atom by help of carbon atom that placed between them. So we suggested new edge that can be replacement by zigzag edge in calculation with more less structure energy that identify in experiment method too. |
| Keywords: |
| reconstruct graphene edge, zz57 edge, yb-zz57 edge |
| Status : Paper Accepted (Poster Presentation) |
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