Pt有序阵列电极氧还原反应动力学研究

项目名称： Pt有序阵列电极氧还原反应动力学研究

项目编号： No.21476178

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 有机化学

项目作者： 潘牧

作者单位： 武汉理工大学

项目金额： 90万元

中文摘要： 氧还原反应动力学缓慢及其反应所需的贵金属催化剂已成为燃料电池产业化的制约因素。有研究表明，有序化电极是解决氧还原问题的有效途径之一。本项目将构建铂有序阵列电极氧还原反应传质模型，通过密度泛函理论（DFT）计算模拟有序阵列Pt电极表面原子状态并揭示其对ORR催化活性的影响，阐明电极结构参数与反应物产物的传输迁移速率和氧还原极化损失的内在联系规律，确定影响因素及增强传输速率的机制；同时将采用模板法电化学沉积制备有序Pt纳米棒阵列电极，对理论计算结果进行验证，从而提出适宜的有序化阵列结构参数。在此研究基础上，通过在电化学聚合聚苯胺(PANI)阵列上用电化学沉积Pt的方法，制备有序Pt/PANI阵列电极，为下一代燃料电池膜电极的开发提供新的思路和理论依据。

中文关键词： 燃料电池；有序阵列电极；氧还原；电化学沉积；密度泛函理论

英文摘要： The oxygen reduction reaction (ORR) has become a bottleneck blocking the industrial application of fuel cell technology. Array electrode seems to be one of the potential ways to solve the ORR problem. This research establishes a transportation and polarization loss model for ORR in Pt array electrode, releases its effect on the catalytic activity of ORR by the density functional theory（DFT）, and finally investigates the electrochemical mechanism among the structure parameters, migration rate of reactant and the polarization loss in order to determine the key factors to the power output. At the same time,orderly Pt nanorods array electrodes which are fabricated using the template-assisted electrodeposition verified theoretical calculation results, and consequently an optimized structure of array electrode is put forward.On the basis of the study,we prepare the Pt/PANI array orderly by the electrochemical deposition,and provides new trains of thought and theory basis for the next generation of fuel cell membrane electrode development.

英文关键词： Fuel cell;Ordered array electrode;Oxygen reduction;electrodeposition;Density functional theory