پديدآورندگان :
farmanzadeh Davood Department of Physical Chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran , askari Nastaran nastaranaskari68@gmail.com Department of Physical Chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran;
چكيده فارسي :
In this study, through computational study, we report predictions of electronic and structure properties of Si4 nanowire (Si4NW) inside of (6,0) zigzag single walled carbon nanotube (CNT) based on density functional theory (DFT) methods. The calculations are performed utilizing double numerical plus polarization functions basis sets (DNP). The obtained results indicate that complex of silicon nanowire and nanotube is more stable than silicon nanowire singly.
