Platinum Clusters on Vacancy-Type Defects of Nanometer-Sized Graphene Patches

DOI Web Site PubMed 参考文献74件 オープンアクセス
  • Takashi Yumura
    Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan
  • Tatsuya Awano
    Nagasaki Institute of Applied Science, 536 Aba-machi, Nagasaki 851-0193, Japan
  • Hisayoshi Kobayashi
    Nagasaki Institute of Applied Science, 536 Aba-machi, Nagasaki 851-0193, Japan
  • Tokio Yamabe
    Nagasaki Institute of Applied Science, 536 Aba-machi, Nagasaki 851-0193, Japan

書誌事項

公開日
2012-07-02
資源種別
journal article
権利情報
  • https://creativecommons.org/licenses/by/3.0/
DOI
  • 10.3390/molecules17077941
公開者
MDPI AG

説明

<jats:p>Density functional theory calculations found that spin density distributions of platinum clusters adsorbed on nanometer-size defective graphene patches with zigzag edges deviate strongly from those in the corresponding bare clusters, due to strong Pt-C interactions. In contrast, platinum clusters on the pristine patch have spin density distributions similar to the bare cases. The different spin density distributions come from whether underlying carbon atoms have radical characters or not. In the pristine patch, center carbon atoms do not have spin densities, and they cannot influence radical characters of the absorbed cluster. In contrast, radical characters appear on the defective sites, and thus spin density distributions of the adsorbed clusters are modulated by the Pt-C interactions. Consequently, characters of platinum clusters adsorbed on the sp2 surface can be changed by introducing vacancy-type defects.</jats:p>

収録刊行物

  • Molecules

    Molecules 17 (7), 7941-7960, 2012-07-02

    MDPI AG

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