Materials Physics Laboratory, State Key Laboratory for Mesoscope Physics, Department of Physics, Peking University, Beijing, 100871, China.
Nanoscale. 2010 Apr;2(4):524-8. doi: 10.1039/b9nr00188c. Epub 2010 Jan 9.
The growing mechanism of alpha-Fe(2)O(3) nanowires synthesized by thermal oxidation of iron is studied by the Monte Carlo method. Using a model of diffusion, the effects of synthesizing temperature, oxygen density and annealing on the morphology of the nanowires have been simulated. The results show that nanowires with a large head can only be obtained under the correct temperature and a sufficiently high density of oxygen. Under a low temperature or a low density of oxygen, particles can be obtained. And under a high temperature or after annealing, the nanowires will become thicker. The results are consistent with our experiments. This fact indicates that the growth of alpha-Fe(2)O(3) nanowires should be a diffusion process and provides an approach for improving the quality of the nanowires.
采用蒙特卡罗方法研究了通过铁的热氧化合成的α-Fe(2)O(3)纳米线的生长机制。使用扩散模型，模拟了合成温度、氧密度和退火对纳米线形态的影响。结果表明，只有在正确的温度和足够高的氧密度下才能获得大头纳米线。在低温或低氧密度下，只能得到颗粒。而在高温或退火后，纳米线会变粗。结果与我们的实验一致。这一事实表明，α-Fe(2)O(3)纳米线的生长应该是一个扩散过程，并为提高纳米线的质量提供了一种方法。
