长效抗中毒低铂/掺杂型TiN催化剂的可控合成及甲醇氧化催化性能研究

项目名称： 长效抗中毒低铂/掺杂型TiN催化剂的可控合成及甲醇氧化催化性能研究

项目编号： No.21306075

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 化学工业

项目作者： 柴占丽

作者单位： 内蒙古大学

项目金额： 25万元

中文摘要： 直接甲醇燃料电池中阳极催化剂的昂贵、不稳定和易中毒严重阻碍其市场化进程。不同于改变Pt基催化剂或改善碳载体的传统研究，本项目以TiN为载体，利用TiN本身的高Pt利用率、高稳定性和催化活性，实现Pt基催化剂在甲醇氧化催化过程中的低铂、长效、抗中毒"三效合一"；此外，通过VB和VIB族离子的掺杂和TiN比表面积的增加，一方面进一步增强TiN的催化活性，另一方面通过表层N空位的增加来提高Pt的负载效果。本项目拟利用Zn2TiO4前驱物法和电纺丝前驱物法制备掺杂型高比表面TiN，再将Pt原位负载在TiN载体上，测试其甲醇氧化催化效果和最终的DMFC电池性能。运用密度泛函理论和从头计算分析该催化剂的结构和性能，并结合实验结果最终确立该催化剂与催化效果之间的构效关系。本项目的目标是为DMFC阳极催化剂开发的困境找到一个潜在的突破口。

中文关键词： 氮化钛；铂基催化剂；助催化剂；纳米结构；甲醇电催化氧化

英文摘要： Anode catalysts for direct methanol fuel cell are so expensive, unstable and prone to poisoning seriously that they impede the marketization process. Different from traditional researches on changing Pt based catalysts or improving carbon supporters，this project takes TiN as the supporter. The features of low-platinum, long duration, resistance to poisoning of Pt catalyst in methanol oxidation process will be simultaneously achieved by using the high Pt utilization rate, high stability and catalytic activity of TiN itself. In addition, by doping group VB and VIB ions into TiN and increasing the surface area of TiN, the catalytic properties of TiN will be further enhanced, and the number of N vacancy on surface will be increased which will improve the loading effect of Pt. This project will use the methods of Zn2TiO4 precursor and electrospinning precursor to prepare doped TiN with high surface area, and then Pt will be in situ loaded on the obtained TiN supporter. The catalytic effect of methanol oxidation and the cell performance of DMFC will be tested. Density functional theory and ab initio will be used to analyze the structure and performance of this catalyst, which will be combined with the experimental results to eventually establish the structure-activity relationship between the catalyst and the catalyti

英文关键词： Titanium nitride；Platinum based catalyst；Co-catalyst；Nanostructures；Methanol electrocatalytic oxidation