铂基合金三维多孔纳米材料的构筑及其对甲醇催化氧化的协同增强机制研究

项目名称： 铂基合金三维多孔纳米材料的构筑及其对甲醇催化氧化的协同增强机制研究

项目编号： No.51301101

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 一般工业技术

项目作者： 张源

作者单位： 上海大学

项目金额： 25万元

中文摘要： 本项目拟引入廉价金属，设计并构筑三维纳米多孔状合金催化材料(PtM)。利用该功能材料对甲醇催化氧化的协同增强效应，解决直接甲醇燃料电池催化剂存在的能量密度低、服役时间短、抗中毒能力差以及成本高等缺点。引入的廉价金属可以调控Pt的能带结构，进而调节Pt对中间产物小分子（如CO）的结合能，在降低催化剂成本的基础上，还可以增强其抗中毒能力并提升催化效率；三维多孔状纳米结构的高比表面积和多孔结构能够提升反应物在催化材料表面的输运，有利于甲醇分子在催化剂表面的吸附、扩散和反应产物的脱附，在提高材料的催化活性的同时，又可以依据三维纳米结构具有的热力学稳定性而延长催化材料的服役时间。在基于密度泛函理论的第一性原理计算与模拟的基础上，结合原位表征方法（如电化学原位红外光谱等），揭示三维多孔结构纳米材料的组成、结构与性能之间的关系和协同增强机制，为低成本、高性能燃料电池催化剂的研究与应用提供理论依据。

中文关键词： 双金属；电催化；合金；三维纳米结构；复合材料

英文摘要： One pressing challenge in the field of direct methanol fuel cells is the disadvantages of current platinum (Pt) group catalysts. Aside from the expense, Pt catalysts have other serious problems, such as easily poisoned by carbon monoxide (CO), poor durability and low efficiency. To address the challenge, this proposal will introduce cheap metals used as substitute or partial substitute for noble metal (Pt) to form bimetallic catalysts, and tune the morphology of bimetallic catalysts to three dimensional (3D) porous nanostructure. By introducing the second metal component into the Pt catalysts system, the electronic structure of Pt catalysts can be modified, which in turn improve the electrocatalytic activity for methanol oxidation. The anti-poison properties of catalysts can also be enhanced by the change of binding energy of adsorbents on the surface of catalysts, owing to the introduction of second metal. Furthermore, the 3D porous nanostructure can not only increase the active sites on the catalysts surface, but also improve the durability of bimetallic catalysts towards methanol oxidation in electrochemical environment. But above all, the introduced cheap metal can lower the amount of Pt, and reduce the cost of catalysts. The research approach will be guided by energy band theory and valence bond theory to b

英文关键词： bimetallic；electrocatalysis；alloy；three dimentiaonl nanostructures；nanocomposites