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S1. AIMD模拟过程中六个Pt3Co HIFs的温度、能量平衡曲线
Fig. S1. Temperature and energy balance curves during AIMD simulations of six Pt3Co HIFs
(a) Pt3Co(211); (b) Pt3Co(310); (c) Pt3Co(331); (d) Pt3Co(511); (e) Pt3Co(320); (f) Pt3Co(332)
