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

本项目旨在为直接高温丙烷PEM燃料电池的发展带来催化剂和膜材料方面的重大突破。采用从头算法进行初步筛选，确定了几种适用于直接烃类PEM燃料电池的新型磷钯合金阴极和复合钯氧氮材料阳极。该项目将开发基于自制（P- pd合金、pd -合金-氮化氧和复合PBI-HMI-Tf膜）的直接丙烷PEM燃料电池。采用溶胶-凝胶法制备催化剂电极。采用XRD、SEM-EDS、ICP-MS等方法对催化剂进行表征。他们将在半电化学电池中测试丙烷在pd -合金-氧-氮化物上的电氧化和动力学研究。对p - pd合金的ORR也将进行类似的研究。在这些反应中表现出最佳性能的材料将与从头计算预测的结果（p - pd合金上O2还原物质的吸附能、pd-alloy-氧-氮化物上丙烷的氧化、功函数、d带中心等）相关联。这些相关性将用于支持我们在电催化中建立的新形式。最好的催化剂将被支撑在我们已经制造的碳或改性T4O7纳米管上，并将在80- 150℃的2.25平方厘米面积的单个PEM燃料电池中作为阳极和阴极进行测试。用离子液体浇铸的一种改进的复合PBI膜，我们最近确定将用作高温膜。DPFC夹具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。在不同丙烷/氧气压力比（比值PR）下，绘制单个燃料电池的极化曲线。将确定在中间温度（80-150℃）下DPFC工作效果最佳的材料和PR。项目结束时的性能目标是电池功率密度达到200 mW/cm2。最终目标是确定一种用于直接碳氢化合物PEM燃料电池的新型材料。

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.