Sulfur-doped zinc oxide (ZnO) Nanostars: Synthesis and simulation of growth mechanism

Journal Article

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. © 2012 Tsinghua University Press and Springer-Verlag Berlin Heidelberg.

Full Text

Duke Authors

Cited Authors

  • Cho, J; Lin, Q; Yang, S; Jr, JGS; Cheng, Y; Lin, E; Yang, J; Foreman, JV; Everitt, HO; Yang, W; Kim, J; Liu, J

Published Date

  • 2012

Published In

Volume / Issue

  • 5 / 1

Start / End Page

  • 20 - 26

International Standard Serial Number (ISSN)

  • 1998-0124

Digital Object Identifier (DOI)

  • 10.1007/s12274-011-0180-3