شماره ركورد كنفرانس :
3926
عنوان مقاله :
Atomic and Electronic Structures of ZnO Nanowires and Nanotubes: A First Principles Study
پديدآورندگان :
Mohammadi Ehsan E_mohammadi@ee.kntu.ac.ir M.Sc. student Faculty of Electrical Engineering K. N. Toosi University of Technology Tehran, Iran , Ghannadanzadeh Ahmad Ahmad_ghannadan@ee.kntu.ac.ir M.Sc. student Faculty of Electrical Engineering K. N. Toosi University of Technology Tehran, Iran , Nadimi Ebrahim Nadimi@kntu.ac.ir Assistant professor Faculty of Electrical Engineering K. N. Toosi University of Technology Tehran, Iran , Akbari Boroumand Farhad Boroumand@eetd.kntu.ac.ir Assistant professor Faculty of Electrical Engineering K. N. Toosi University of Technology Tehran, Iran
كليدواژه :
component , ZnO nanowire, ZnO nanotube, Density functional theory
عنوان كنفرانس :
بيست و چهارمين كنفرانس مهندسي برق ايران
چكيده فارسي :
Density functional theory has been employed in the calculation of atomic and electronic structure of various ZnO nanowires and nanotubes. The results show that the stability and the band gap of the nanostructures are mainly determined with their size. Nanowires have been shown to be more stable than nanotubes. The shape of the cross section of nanowires has a minor influence on the band gap of the wire. We introduce an effective radius according to the spatial average of the electrostatic potential as a uniform measure for the size of different nanostructures
