期刊
NANO RESEARCH
卷 5, 期 1, 页码 20-26出版社
TSINGHUA UNIV PRESS
DOI: 10.1007/s12274-011-0180-3
关键词
ZnO nanostar; hexagram; thiourea; sulfur doping; growth mechanism; ab initio simulation
类别
资金
- Duke University
- National Science Foundation (NSF) [ECCS-0925587, CHE-09-11119]
- Science Foundation of Jimei University, China [ZQ2010006]
- Directorate For Engineering
- Div Of Electrical, Commun & Cyber Sys [0925587] Funding Source: National Science Foundation
- Div Of Biological Infrastructure
- Direct For Biological Sciences [830093] Funding Source: National Science Foundation
We present a bottom-up synthesis, spectroscopic characterization, and ab initio simulations of star-shaped hexagonal zinc oxide (ZnO) nanowires. The ZnO nanostructures were synthesized by a low-temperature hydrothermal growth method. The cross-section of the ZnO nanowires transformed from a hexagon to a hexagram when sulfur dopants from thiourea [SC(NH(2))(2)] were added into the growth solution, but no transformation occurred when urea (OC(NH(2))(2)) was added. Comparison of the X-ray photoemission and photoluminescence spectra of undoped and sulfur-doped ZnO confirmed that sulfur is responsible for the novel morphology. Large-scale theoretical calculations were conducted to understand the role of sulfur doping in the growth process. The ab initio simulations demonstrated that the addition of sulfur causes a local change in charge distribution that is stronger at the vertices than at the edges, leading to the observed transformation from hexagon to hexagram nanostructures.
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