Substrate-mediated interactions of Pt atoms adsorbed on single-wall carbon nanotubes: Density functional calculations

作者：Hieu Chi Dam^*; Cuong Nguyen Thanh; Sugiyama Ayumu; Ozaki Taisuke; Fujiwara Akihiko; Mitani Tadaoki; Okada Susumu

来源：Physical Review B, 2009, 79(11): 115426.

DOI：10.1103/PhysRevB.79.115426

• adsorption
• carbon nanotubes
• deformation
• density functional theory
• diffusion barriers
• platinum

In this study, we perform density functional calculations to investigate the interplay between single-wall carbon nanotube (SWNT) supports and adsorbed Pt atoms. We found that adsorption of Pt atoms on SWNTs is found to depend heavily on the curvature of SWNTs. The supporting SWNTs mediate and enhance the range of interactions between Pt adatoms. The long-range interactions originate from the structural deformation of the tube and the complex electronic states formed during the adsorption. Furthermore, these SWNT-mediated interactions significantly modify the diffusion barriers of Pt adatoms on the tube surface.

• 出版日期2009-3