Accession Number : ADA552483


Title :   Sulfur-Doped Zinc Oxide (ZnO) Nanostars: Synthesis and Simulation of Growth Mechanism


Descriptive Note : Research article


Corporate Author : ARMY AVIATION AND MISSILE RESEARCH DEVELOPMENT AND ENG CTR REDSTONE ARSENAL AL


Personal Author(s) : Cho, Jinhyun ; Lin, Qiubao ; Yang, Sungwoo ; Simmons, Jr, Jay G ; Cheng, Yingwen ; Lin, Erica ; Yang, Jianqiu ; Foreman, John V ; Everitt, Henry O ; Yang, Weitao ; Kim, Jungsang ; Liu, Jie


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a552483.pdf


Report Date : Oct 2011


Pagination or Media Count : 8


Abstract : 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(NH2)2] were added into the growth solution, but no transformation occurred when urea (OC(NH2)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.


Descriptors :   *ZINC OXIDES , ADDITION , COMPARISON , COMPUTATIONS , CROSS SECTIONS , DISTRIBUTION , DOPING , EDGES , GROWTH(GENERAL) , LOW TEMPERATURE , MORPHOLOGY , NANOSTRUCTURES , PHOTOELECTRIC EMISSION , PHOTOLUMINESCENCE , SIMULATION , SOLUTIONS(GENERAL) , SPECTRA , SPECTROSCOPY , SULFUR , SULFUR OXIDES , SYNTHESIS , THEORY , THIOUREA , TRANSFORMATIONS , UREA


Subject Categories : Inorganic Chemistry
      Electrooptical and Optoelectronic Devices


Distribution Statement : APPROVED FOR PUBLIC RELEASE