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APS » Journals » Phys. Rev. B » Volume 79 » Issue 11
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Phys. Rev. B 79, 115426 (2009) [6 pages]

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

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Hieu Chi Dam1,2,3, Nguyen Thanh Cuong1, Ayumu Sugiyama1, Taisuke Ozaki1, Akihiko Fujiwara1, Tadaoki Mitani1,2, and Susumu Okada4,5
1Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292, Japan
2Japan Science and Technology, ERATO, Shimoda Nano-Liquid Process Project, 2-5-3 Asahidai, Nomi, Ishikawa 923-1211, Japan
3Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi, Vietnam
4Institute of Physics and Center for Computational Sciences, University of Tsukuba, Tsukuba 305-8571, Japan
5CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan

Received 9 January 2009; published 20 March 2009

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.

© 2009 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.79.115426
DOI:
10.1103/PhysRevB.79.115426
PACS:
61.46.Bc, 61.46.Fg, 71.15.Mb, 73.22.−f
 
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