Title of article :
Electronic and magnetic properties of triangular graphene nanoflakes embedded in fluorographene
Author/Authors :
Xie، نويسنده , , Hui and Lu، نويسنده , , Wencai and Zhang، نويسنده , , Wei and Qin، نويسنده , , Penghua and Wang، نويسنده , , C.Z. and Ho، نويسنده , , K.M.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
5
From page :
48
To page :
52
Abstract :
Triangular graphene nanoflakes (GNFs) embedded in fluorinated graphene are systematically investigated using first-principles density functional theory (DFT) calculations. The electronic and magnetic properties of such nanoflakes depend sensitively on the topology (armchair or zigzag) and the length of the edge of nanofakes. All embedded armchair triangular GNFs are semiconducting with size-dependent band gaps. The embedded zigzag triangular GNFs are magnetic with a ferrimagnetic ground state due to topological frustration of the π bonds. The magnetic moment scales linear with the size of the triangular GNF.
Journal title :
Chemical Physics Letters
Serial Year :
2013
Journal title :
Chemical Physics Letters
Record number :
1934889
Link To Document :
بازگشت