Pt3Co高指数晶面氧还原过程的密度泛函理论研究
刘磊1,2,3(
), 郭瑞华1,2,3(), 王丽4, 王艳5, 张国芳1, 关丽丽1,2
), 郭瑞华1,2,3(), 王丽4, 王艳5, 张国芳1, 关丽丽1,2
Oxygen Reduction Reaction on Pt3Co High-index Facets by Density Functional Theory
LIU Lei1,2,3(), GUO Ruihua1,2,3(), WANG Li4, WANG Yan5, ZHANG Guofang1, GUAN Lili1,2
), GUO Ruihua1,2,3(), WANG Li4, WANG Yan5, ZHANG Guofang1, GUAN Lili1,2
图3. (a)HIFs台阶和边缘位置示意图, 以及(b)*O、*OH、*OOH在Pt3Co(211)边缘处的最佳吸附构型
Fig. 3. (a) Schematic representation of HIFs terrace and edge positions, and (b) optimal adsorption configurations of *O, *OH, and *OOH at Pt3Co(211) edge
