非铂析氢反应电催化剂的功能导向性设计与性能优化研究

项目名称： 非铂析氢反应电催化剂的功能导向性设计与性能优化研究

项目编号： No.21501112

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 谢俊峰

作者单位： 山东师范大学

项目金额： 20万元

中文摘要： 近年来，基于高效电催化剂的析氢反应因其较高的能源经济性与环境友好性成为广受关注的一种氢气制备途径。然而，传统的铂基电催化剂昂贵和稀缺的固有属性限制了析氢反应的实际应用前景，因此开发高效且廉价的新型非铂电催化剂势在必行。本项目拟以非铂过渡金属化合物为目标，通过分析催化过程中的制约因素，探究活性位点与材料导电性的系统优化策略，实现非铂电催化剂的功能导向性设计与性能优化。通过缺陷工程、非晶化等手段，实现已知电催化剂活性位点数的可控调制；通过晶面设计、电化学归一化研究等途径实现新型电催化剂活性位点位置的确定；通过元素掺杂、取向生长、复合杂化等手段实现非铂电催化剂导电性能的提升，并探究活性位点、导电性与催化性能之间的构效关系；进一步通过协同调控活性位点与导电性，实现非铂电催化剂析氢反应活性的最优化。该项目的实施将为设计新型电催化剂提供理论和方法指导，并为发展氢能源提供材料基础。

中文关键词： 析氢反应；电催化；能源材料；纳米晶；无机功能材料

英文摘要： Recently, hydrogen evolution reaction (HER) catalyzed by efficient electrocatalysts has been considered as one of the most attractive hydrogen production pathways due to its high energy economy and environmentally benign quality. However, the expensive and rare nature of the traditional platinum-based electrocatalysts intensively hinders the practical application of HER. Hence, exploring novel non-platinum electrocatalysts with high efficiency and low price becomes more and more imperative. In this project, focused on the non-platinum transition metal compounds, we plan to investigate the systematic optimization strategy of active sites and electric conductivity by analyzing the restrictive factors of the catalytic processes, and further realize the function-oriented design and performance optimization of non-platinum electrocatalysts. By means of defect engineering and amorphization, active sites of as-known catalysts can be rationally modulated; identification of active site locations of novel electrocatalysts can be achieved via crystal facet engineering accompanied with electrochemical normalization analyses; in addition, electric conductivity of the non-platinum electrocatalysts can be enhanced by elemental doping, oriented crystal growth and hybridization with other highly conductive materials. Thus, the structure-activity relationship among active sites, conductivity and catalytic activity will be investigated, and the HER performance of the non-platinum electrocatalysts will be maximally optimized by synergistic modulation of active sites and conductivity. The implementation of this project will provide theoretical and methodological guidance for design of new electrocatalysts, and offer solid material support for the exploitation of hydrogen energy.

英文关键词： hydrogen evolution reaction;electrocatalysis;energy material;nanocrystal;inorganic functional material