Tailoring the substitution on the surface of Fe13/Pt42 core-shell nanoparticles by Au atoms
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- 作者：Dongling Han ; Yongpeng Yang ; Ning Wang ; Shiping Huang ; huangsp@mail.buct.edu.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ternary nanoparticles ; Density functional theory ; Magnetic moment ; d-Band center
- 刊名：Materials & Design
- 出版年：2016
- 出版时间：15 February 2016
- 年：2016
- 卷：92
- 期：Complete
- 页码：794-801
- 全文大小：1319 K
文摘
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Au substitution on the surface of Fe13/Pt42 core–shell nanoparticles is performed by DFT.
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Au atoms prefer to substitute the closer vertical Pt.
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An increasing of the Au atoms is not causing an enhancement in stability.
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Bond lengths of Fe–Fe and local magnetic moment of center Fe show similar tendency.