基于金属有机框架的燃料电池阴极催化材料的设计  

Design of Cathode Catalytic Materials for Fuel Cells Based on Metal-organic Framework

作　　者：白一含 陈馨蕊 冯振 冀盛亚 李佳 苏光 BAI Yi-han;CHEN Xin-rui;FENG Zhen;JI Sheng-ya;LI Jia;SU Guang(School of Materials Science and Engineering,Henan Institute of Technology,Henan Xinxiang 453003;College of Chemistry and Chemical Engineering,Henan Normal University,Henan Xinxiang 453007,China)

机构地区：[1]河南工学院材料科学与工程学院,河南新乡453003 [2]河南师范大学化学与化工学院,河南新乡453007

出　　处：《广州化工》2024年第17期27-30,共4页GuangZhou Chemical Industry

基　　金：河南省青年自然科学基金(232300420365);河南省科技攻关项目(222102310337、232102231016、222102230021);新乡市科技攻关计划项目(GG2021019);教学改革项目(2022-SFYB05、CLXY-2021004)。

摘　　要：质子交换膜燃料电池具有转化率高、噪音低等优点,但其阴极采用了高成本的贵金属铂。在此,采用具有单原子特性的金属有机框架材料来替代铂材料。从理论上构建以Mn等过渡金属原子为连接节点的金属有机框架,采用第一性原理计算方法考察其作为阴极电催化剂的氧化还原特性。研究表明,以Mn为中心连接节点的金属有机框架氧还原活性最佳,过电位为0.32 V,工作电位为0.91 V。研究结果为金属有机框架单原子催化材料的应用提供了理论支撑。Proton exchange membrane fuel cell has the advantages of high conversion rate and low noise,but its cathode uses the precious metal platinum with high cost.Here,a metal-organic frame material with single-atom properties was used to replace the platinum material.A metal-organic framework with transition metal atoms such as Mn as connecting nodes was constructed theoretically,and its REDOX properties as a cathode electrocatalyst were investigated by first-principles calculation method.The results showed that the metal-organic framework with Mn as the center connecting node had the best oxygen reduction activity,with an overpotential of 0.32 V and a working potential of 0.91 V.The results provided theoretical support for the application of metal-organic framework monatomic catalytic materials.

关 键 词：质子交换膜燃料电池 氧还原反应 二维金属有机框架材料 设计与优化 

分 类 号：TM911.4[电气工程—电力电子与电力传动]