Catalysts and membrane breakthrough for direct high temperature propane PEM fuel cell appliccations

该研究项目旨在为直接高温丙烷PEM燃料电池的开发带来催化剂和膜材料的重大突破。采用从头计算作为首次筛选，一些新的磷钯合金基阴极和复合钯氧氮化物材料阳极已被确定为直接烃PEM燃料电池的应用。本计画将以自制之P-Pd合金、P-Pd合金氮氧化物及PBI-HMI-Tf复合膜为基础，发展直接丙烷质子交换膜燃料电池。将使用基于溶胶-凝胶方法的新方法处理催化剂电极。催化剂将通过XRD，SEM-EDS，ICP-MS等进行表征。它们将在半电化学电池中进行测试，用于Pd合金氧氮化物上的丙烷电氧化和动力学研究。将对P-Pd合金的ORR进行类似研究。对这些反应表现出最佳性能的材料将与结果（O2还原物质在P-Pd合金上的吸附能，以及丙烷氧化在Pd合金氮氧化物上的吸附能、功函数、d带中心等）相关联。通过从头计算预测。这些相关性将被用来支持一个新的形式主义，我们正在建设的电催化。最好的催化剂将负载在我们已经制造的碳或改性T4 O 7纳米管上，并将在80- 150 oC下在2.25 cm 2面积的单PEM燃料电池中作为阳极和阴极进行测试。我们最近发现，用离子液体浇铸的改进的复合PBI膜将用作高温膜。DPFC固定装置将包括这种改性的纳米复合PBI基膜和上述优化的阳极和阴极。在不同的丙烷/氧气压力比（PR比）下，将获得单个燃料电池的极化曲线。将确定在中间温度（80-150 oC）下运行的DPFC表现出最佳结果的材料和PR。项目结束时的性能目标是电池功率密度为200 mW/cm 2。最终的目标是确定一种新的直接烃PEM燃料电池的材料。

This research project aims to bring significant breakthrough in catalyst and membranes materials on the development of direct high temperature propane PEM Fuel cells. Using ab initio calculation as first screening, some new phosphorus Pd-alloy based cathodes and composite Pd-oxy-nitride materials anodes have been identified for direct hydrocarbon PEM fuel cells applications. This project will develop direct propane PEM Fuel Cells based on the home-prepared (P- Pd-alloys, Pd-alloy-oxy nitride and composite PBI-HMI-Tf membrane). The catalysts electrodes will be processed using a new method based on sol-gel approach. The catalyst will be characterised by XRD, SEM-EDS, ICP-MS, etc. They will be tested in a half electrochemical cell for the propane electro-oxidation on Pd-alloy-oxy-nitride and kinetic studies. Similar studies will be done for the ORR on P-Pd-alloy. The materials which exhibited the best performance for these reactions will be correlated to the results (adsorption energies of the O2 reduction species on P-Pd-alloys, and propane oxidation on pd-alloy-oxy-nitride, work function, d-band center, etc.) predicted by ab initio calculations. These correlations will be used to support a new formalism we are building in electro catalysis. The best catalysts will be supported on carbon or modified T4O7 nano-tubes we already fabricated and will be tested as anodes and cathodes in a 2.25 cm2 area single PEM fuel cell at 80- 150 oC. An improved composite PBI membranes cast with ionic liquids, we identified recently will be used as high temperature membranes. The DPFC fixture will include this modified nano composite PBI based membranes and the above optimised anodes and cathodes. Single Fuel cell polarization curves will be taken under different propane/oxygen pressure ratios (ratio PR). The materials and PR which will exhibit the best results for DPFC operating at intermediate temperature (80-150 oC) will be determined. The performance target at the end of the project will be a cell power density of a 200 mW/cm2. The ultimate objective is to determine a new class of materials for direct hydrocarbon PEM fuel cells.