首页> 外文会议>Materials challenges in alternative and renewable energy >MODELING NANOPARTICLE SYNTHESIS BY GAS CONDENSATION IN A NANOCLUSTER SOURCE FOR APPLICATIONS IN PHOTOVOLTAIC AND HYDROGEN FUEL CELLS
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MODELING NANOPARTICLE SYNTHESIS BY GAS CONDENSATION IN A NANOCLUSTER SOURCE FOR APPLICATIONS IN PHOTOVOLTAIC AND HYDROGEN FUEL CELLS

机译:在气相和氢气燃料电池中使用纳簇源气态冷凝法模拟纳米颗粒的合成

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One challenging and relatively cost-effective alternative to MOCVD-deposited nanoparticles (NPs) is the synthesis of nano-aggregates by inert-gas condensation of a sputtered vapor in a dedicated magnetron-based reactor. By tuning the collision path length and hence the time of residence of NPs in the carrier gas phase, spherical aggregates with well-controlled nanometer-scale diameters and relatively narrow size dispersion are produced from various materials. Such aggregates exhibit interesting properties related to their high surface-to-volume ratio and surface reactivity (e.g. in catalysis applications). On the basis of experimental results, a detailed modeling of NP nucleation and growth based on the classical nucleation theory was developed taking the peculiar geometry and thermal profile of the NP reactor into account. The simulated curves, calculated by a matlab program developed for that purpose, exhibit a good qualitative agreement with experiment and highlight the role of the process parameters and reactor temperature profile on the NP size distribution. Such calculations underline the possible optimization of the NP source design in order to improve its efficiency and reproducibility. The model may also yield a feasibility criterion and facilitate process development for costly materials by limiting the range of investigated parameters.
机译:MOCVD沉积的纳米颗粒(NPs)的一种具有挑战性和相对成本效益的替代方法是在专用的基于磁控管的反应器中通过溅射气体的惰性气体冷凝来合成纳米聚集体。通过调整碰撞路径的长度,从而调整NP在载气气相中的停留时间,可以用各种材料生产具有良好控制的纳米级直径和相对较窄尺寸分散的球形聚集体。这样的聚集体表现出与它们高的表面体积比和表面反应性有关的令人感兴趣的性质(例如在催化应用中)。根据实验结果,在考虑到NP反应器独特的几何形状和热分布的基础上,开发了基于经典成核理论的NP形核和生长的详细模型。为此目的开发的matlab程序计算出的模拟曲线与实验具有良好的定性一致性,并突出了工艺参数和反应器温度曲线对NP尺寸分布的作用。这样的计算强调了NP源设计的可能优化,以提高其效率和可重复性。该模型还可以通过限制所研究参数的范围来产生可行性标准,并促进昂贵材料的工艺开发。

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