Unraveling the roles of iron in stabilizing the defective graphene-supported PtFe bimetallic nanoparticles
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- 作者：Yongpeng Yang ; Ping Cheng ; Shiping Huang ; huangsp@mail.buct.edu.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：PtFe bimetal nanoparticles ; Defective graphene ; Density functional theory ; Stability ; Electronic properties
- 刊名：Journal of Alloys and Compounds
- 出版年：2016
- 出版时间：15 December 2016
- 年：2016
- 卷：688
- 期：part_PA
- 页码：1172-1180
- 全文大小：4070 K
文摘
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Adsorption behaviors of PtnFe55-n nanoparticles on vacancy graphene were performed by DFT.
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Pt
Fe bimetallic nanoparticles prefer to be adsorbed on SVG through surface Fe atoms.- •
Strong interaction between Pt and Fe can decrease adsorption energies of bimetallic NPs.
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Interactions between Fe atoms and sp2 dangling bonds in the SVG are very strong.