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S8. 六个HIFs在边缘、台阶1、台阶2处的ρdos和εd
Fig. S8. ρdos and εd for the six HIFs at edge, terrace 1, and terrace 2
(a1-a3) Pt3Co(211); (b1-b3) Pt3Co(310); (c1-c3) Pt3Co(331); (d1-d3) Pt3Co(511); (e1-e3) Pt3Co(320); (f1-f3) Pt3Co(332)
