碱性燃料电池Ni基阳极氢氧化性能的实验设计  

Experimental design of the hydrogen oxidation performance of Ni based anodes in alkaline fuel cells

作　　者：赵联明 徐静 鲁效庆 李邵仁 朱后禹 ZHAO Lianming;XU Jing;LU Xiaoqing;LI Shaoren;ZHU Houyu(School of Materials Science and Engineering,China University of Petroleum(East China),Qingdao 266580,China)

机构地区：[1]中国石油大学(华东)材料科学与工程学院,山东青岛266580

出　　处：《实验技术与管理》2023年第3期58-63,共6页Experimental Technology and Management

基　　金：国家自然科学基金项目(21805307)。

摘　　要：文章将碱性燃料电池Ni基阳极氢氧化(HOR)性能研究设计成研究型教学实验项目。该实验利用第一性原理方法,构建了3种KOH溶液/NiCr合金电极界面模型,分析了合金表面的抗氧化性,探究了合金表面的HOR机理,模拟了HOR极化曲线,筛选出具有优异抗氧化性和HOR活性的Ni3Cr(111)阳极催化剂。该实验以高性能计算集群为硬件支撑,采用Materials Studio软件包进行理论计算,适合作为本科生研究型教学实验,有助于学生创新意识和科研能力的培养。In this paper,the research on the hydrogen oxidation(HOR)performance of Ni based anodes in alkaline fuel cells was designed as a research-oriented teaching experiment project.In the experiment,three KOH solution/NiCr alloy electrode interface models were constructed by using the first principle method,the oxidation resistance of the alloy surfaces was analyzed,the HOR mechanism of the alloy surfaces was explored,the HOR polarization curve was simulated,and the Ni3Cr(111)anode catalyst with excellent oxidation resistance and HOR activity was screened.The experiment is supported by high-performance computing cluster,and uses Materials Studio software package for theoretical calculations.It is suitable for undergraduate research-oriented teaching experiment,which is helpful to cultivate students’innovation awareness and scientific research ability.

关 键 词：实验设计 电催化 氢氧化反应 第一性原理 

分 类 号：TK91[动力工程及工程热物理] O[理学]