Статья

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

Jinhyun ChoDepartment of Electrical and Computer Engineering, Fitzpatrick Institute for Photonics, Duke University, Durham, North Carolina, 27708, USAQiubao LinDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USASungwoo YangDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USAJay G. SimmonsDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USAYingwen ChengDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USAErica LinDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USAJianqiu YangDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USAJohn V. ForemanU.S. Army Aviation and Missile Research, Development, and Engineering Center, Weapons Sciences Directorate, Redstone Arsenal, AL, 35898, USAHenry O. EverittDepartment of Physics, Duke University, Durham, NC, 27708, USAWeitao YangDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USAJungsang KimDepartment of Electrical and Computer Engineering, Fitzpatrick Institute for Photonics, Duke University, Durham, North Carolina, 27708, USAJie LiuDepartment of Chemistry, French Family Science Center, Duke University, Durham, North Carolina, 27708, USA

2011en

ABI

Аннотация

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.

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Идентификаторы

DOI: 10.1007/s12274-011-0180-3

Цитирования и источники

Цитирований: 2Использованных источников: 0

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