3d金属元素基产氧电催化剂的局域原子协同机制的研究

项目名称： 3d金属元素基产氧电催化剂的局域原子协同机制的研究

项目编号： No.21503079

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： 张波

作者单位： 华东理工大学

项目金额： 21万元

中文摘要： 电催化水氧化是决定电解水和二氧化碳电还原等新能源转换系统效率的关键半反应，但目前与之匹配的电催化剂活性及成本与工业大规模应用要求尚存在距离。本项目将以申请人在新能源电催化机理研究，以及催化剂微结构调控等方面的研究成果为基础，围绕如何通过局域原子簇配位调控的策略优化低成本3d金属氢氧化物/羟基氧化物的产氧催化活性，采用理论与实验相结合的研究方法，实现以下研究目标：阐明OH-离子在具有MO6结构的层状金属氢氧化物/羟基氧化物表面的催化反应历程和决速步骤，预测插层离子、异质金属原子对基于MO6结构催化中心的活性影响规律；可控合成一批基于不同插层离子和金属异质原子的3d金属氢氧化物/羟基氧化物材料；揭示可控局域原子簇对催化剂微观电子结构及电荷分布的影响规律，以及协同催化作用机制；基于以上研究成果的实现，开发一批高催化活性、低成本的产氧电催化材料，推进基于电解水和二氧化碳电还原新能源系统的实用化。

中文关键词： 表面催化；电催化；半导体金属氧化物；水氧化；局域原子簇

英文摘要： The reaction of electrochemical water oxidation is the key point deciding the efficiency of some new energy conversion system, such as water electrolysis cell and CO2 electro-reduction cells. However, the catalytic activity of catalysts for water oxidation is not high enough for the broad industrial application. Based the successful research of electrocatalysis, electrochemical reaction mechanism and controlled design of catalysts' micro-structure, we will aim to increase the catalytic activity of low-cost 3d metal-based hydroxide and oxyhydroxide via the controlled local cluster's synergistic effect. We will execute this project via theoretical and experimental methods as follows. Firstly, the reaction pathway of the oxidation of OH- ions on the layered metal hydroxide and oxyhydroxide with MO6 structure and the rate-determining step will be clarified, and further to predict the influence of intercalated ions and hetero metal atoms on the catalysts' activity. Furthermore, we will synthesize a group of 3d metal hydroxide and oxyhydroxide with different controlled intercalated ions and hetero metal atoms. More importantly, the relationship between the electronic structure and charge distribution of the local cluster and their electrocatalytic activity of oxygen evolution will be illuminated. And finally, we will explore a series of excellent and low-cost catalyst, to boost the practical process of the new energy system based on water electrolysis and CO2 electroreduction.

英文关键词： Surface catalysis;Electrolysis;Oxide semiconductor ;Water oxidation;Local cluster