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Effect of CNTs Support in CL of PEMFC on the Structure of Ionomer Ultra-Thin Film

机译:CNTS载体在PEMFC中CL对离聚物超薄膜结构的影响

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Proton Exchange Membrane Fuel Cell (PEMFC) is an energy converter with high power density, no carbon emissions, and features of quick start-up. It has extremely broad application prospects. However, despite these advantages, there are still several obstacles that hinder the performance improvement of PEMFC. Among them, the ionomer film in the catalyst layer (CL) and the catalyst constitute a multi-phase nano-scale structural morphology, which is essential for the transportation of protons and water, and the improvement of the utilization rate of the catalyst. In order to improve the material transport capacity of the above-mentioned parts, the water transport performance can be optimized by improving the structure of carbon support. A classic molecular dynamics simulation was conducted to established a model of platinum particles on carbon nanotubes (CNTs), which explore the effect of the carbon surface on the molecular level structure of the ionomer film, and the corresponding structure-property relationships. the following simulations is mainly conducted: 1) the influence of CNTs on the self-assembly process of ionomer on its surface, 2) the effect of ionomer ratio on film morphology, 3) structural composition around CNTs with different water contents, 4) the influence of the presence of nano-platinum particles on the structure of the ionomer film around the CNTs. At the same time, the above model was used to compare the morphology of the water area inside the nano-thick ionomer film formed under different conditions, the formation process of the water area around the CNTs, and the proton transport capacity of the corresponding structure. These results provide a molecular basis for the study of the morphology of the nanostructures inside the CL, and give the way in which the CNTs affect the ionomer film structure and water transport capacity.
机译:质子交换膜燃料电池(PEMFC)是一种高功率密度,无碳排放和快速启动的功能的能量转换器。它具有极为广泛的应用前景。然而,尽管有这些优势,但仍有几个障碍阻碍了PEMFC的性能改善。其中,催化剂层(Cl)中的离聚物膜和催化剂构成了多相纳米结构形态,这对于运输质子和水的运输至关重要,以及催化剂的利用率的提高。为了提高上述部件的材料输送能力,可以通过改善碳载体的结构来优化水运输性能。进行了经典的分子动力学模拟,以建立碳纳米管(CNT)上的铂颗粒模型,其探讨碳表面对离聚物膜的分子水平结构的影响,以及相应的结构性质关系。以下模拟主要进行:1)CNT对离聚物自组装过程的影响,离聚物的表面,2)离聚物比薄膜形态的影响,3)含有不同水含量的CNT的结构组合物,4)纳米铂颗粒在CNTs周围的离聚物膜结构上的影响。同时,上述模型用于比较在不同条件下形成的纳米厚离聚物膜内的水域的形态,CNT周围的水域的形成过程,以及相应结构的质子传输能力。这些结果为研究CL内部结构的形态提供了分子基础,并给出了CNT影响离聚物膜结构和水运输能力的方式。

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