Pt3Co高指数晶面氧还原过程的密度泛函理论研究
Oxygen Reduction Reaction on Pt3Co High-index Facets by Density Functional Theory
(a) Pt3Co unitcell; (b) Pt3Co(211); (c) Pt3Co(310); (d) Pt3Co(331); (e) Pt3Co(511); (f) Pt3Co(320); (g) Pt3Co(332)
Pt3Co高指数晶面氧还原过程的密度泛函理论研究 |
| 刘磊, 郭瑞华, 王丽, 王艳, 张国芳, 关丽丽 |
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Oxygen Reduction Reaction on Pt3Co High-index Facets by Density Functional Theory |
| LIU Lei, GUO Ruihua, WANG Li, WANG Yan, ZHANG Guofang, GUAN Lili |
| 图2 Pt3Co原胞及六个Pt3Co HIFs的表面模型 |
| Fig. 2 Surface models of Pt3Co unitcell and six Pt3Co HIFs (a) Pt3Co unitcell; (b) Pt3Co(211); (c) Pt3Co(310); (d) Pt3Co(331); (e) Pt3Co(511); (f) Pt3Co(320); (g) Pt3Co(332) |
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