期刊
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
卷 43, 期 8, 页码 1522-1527出版社
ELSEVIER
DOI: 10.1016/j.physe.2011.04.021
关键词
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资金
- National Natural Science Foundation of China [10974119]
- Natural Science Fund for Distinguished Young Scholars of Shandong Province [JQ201001]
- Independent Innovation Foundation of Shandong University (IIFSDU) [2009JQ003]
- Graduate Independent Innovation Foundation of Shandong University (GIIFSDU) [YZC09075]
We perform first-principles calculations to study the structural, energetic, and electronic properties of axial and core-shell 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-I band alignment, while that of the ZnO@ZnS core-shell heteronanotube has a type-II band alignment. These heteronanotubes may have practical applications as UV optically active materials. (C) 2011 Elsevier B.V. All rights reserved.
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