We perform first-principles calculations to study the structural, energetic, and electronic properties of axial and coreshell ZnS/ZnO heteronanotubes. The results show that axial heteronanotubes have smooth and defect-free interfaces. The charge redistribution near the interfaces gives rise to a built-in electric field. The band scheme diagram of axial armchair heteronanotube displays the characteristic of type-Ι band alignment, while that of the ZnO@ZnS coreshell heteronanotube has a type-II band alignment. These heteronanotubes may have practical applications as UV optically active materials.
|Number of pages||6|
|Journal||Physica E: Low-Dimensional Systems and Nanostructures|
|Publication status||Published - Jun 2011|