title: Platinum clusters on vacancy-type defects of nanometer-sized graphene patches.
abstract: 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.
authors: Department of Chemistry and Materials Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585, Japan. yumura@chem.kit.ac.jp
authors: Takashi
authors: T
authors: Yumura
authors: Tatsuya
authors: T
authors: Awano
authors: Hisayoshi
authors: H
authors: Kobayashi
authors: Tokio
authors: T
authors: Yamabe
mesh_terms: D002244:Carbon / Q000737:chemistry; D006108:Graphite / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D053758:Nanoparticles / Q000737:chemistry*; D010316:Particle Size; D010984:Platinum / Q000737:chemistry*; D011789:Quantum Theory; D013113:Spin Labels; D013816:Thermodynamics
chemical_list: D013113:Spin Labels; D010984:Platinum; D002244:Carbon; D006108:Graphite