应变调控对PEMFC金属有机框架电极活性的影响  

Effect of strain control on metal-organic frameworks electrode activity in PEMFC

作　　者：周梦硕 罗海洋 冯振 苏光 ZHOU Mengshuo;LUO Haiyang;FENG Zhen;SU Guang(School of Materials Sciences and Engineering,Henan Institute of Technology,Xinxiang,Henan 453003,China;Henan Engineering Research Center for Modification Technology of Metal Materials,Xinxiang,Henan 453003,China;School of Physics,Henan Normal University,Xinxiang,Henan 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]河南省金属材料改性技术工程技术研究中心,河南新乡453003 [3]河南师范大学物理学院,河南新乡453007

出　　处：《电池》2024年第3期320-324,共5页Battery Bimonthly

基　　金：河南省青年自然科学基金(232300420365);河南省科技攻关项目(232102231016);河南省高等学校重点科研项目(24B140002);国家级大学生创新创业训练计划(202311329013)。

摘　　要：质子交换膜燃料电池(PEMFC)具有结构简单、能源转化率高效、产物清洁等优点,但较高的贵金属催化剂成本以及耐用性等问题阻碍了其商业化应用。采用第一性原理计算方法,构建一种氧配位的金属有机框架(MOF)模型,分别研究x方向和y方向不同应变程度对铁基MOF中心原子氧还原催化活性的影响。沿宽度y轴方向压缩应变2%到拉伸应变4%的范围内,应变对Fe-O-MOF的催化活性有较大的调节作用。沿金属原子结构长度x轴方向在压缩应变2%到拉伸应变6%的范围内,应变对Fe-O-MOF的催化活性有较大的调节作用。Proton exchange membrane fuel(PEMFC)cells have the advantages of simple structure,efficient energy conversion rate and clean products,but the high cost and durability of precious metal catalysts hinder their commercial application.A metal-organic framework(MOF)model of oxygen coordination is constructed by first-principles calculation,the effects of different strain degrees in x and y directions on the catalytic activity of the central atom of the iron-based MOF are studied.The strain has a great regulatory effect on the catalytic activity of Fe-O-MOF in the range of 2%compressive strain to 4%tensile strain along the width y-axis.In the range of compressive strain from 2%to 6%tensile strain along the x-axis of the length of the metal atomic structure,the strain has a great regulatory effect on the catalytic activity of the Fe-O-MOF.

关 键 词：质子交换膜燃料电池(PEMFC) 金属有机框架(MOF) 电极活性 氧还原反应(ORR) 应变调控 

分 类 号：TM911.42[电气工程—电力电子与电力传动]