Structural and electronic properties of ZnS/ZnO heteronanotubes

Xuejuan Zhang, Shijie Xie, Yingcai Fan, Zhenhai Wang, Hongyu Zhang, Mingwen Zhao

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)1522-1527
Number of pages6
JournalPhysica E: Low-Dimensional Systems and Nanostructures
Issue number8
Publication statusPublished - Jun 2011
Externally publishedYes


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