DOI: 10.1002/pssb.200669166. Structural and electronic properties of Ptn (n = 3, 7, 13) clusters on metallic single wall carbon nanotube

Structural and electronic properties of Ptn (n = 3, 7, 13) clusters on metallic single wall carbon nanotube

10.1002/pssb.200669166

Crossref journal-article

Wiley

physica status solidi (b) (311)

Abstract

AbstractA systematic study of Ptn (n = 3, 5, 7) clusters adsorbed on the metallic (5, 5) single wall carbon nanotube was carried out using theoretical calculations within Density Functional Theory. The geometrical and electronic structure and interaction between the Pt clusters and the single wall carbon nanotube were investigated. The bridge adsorption sites on the outer wall of the carbon nanotube are found favorable for Pt atom. We found that the average C–Pt and Pt–Pt bond length, binding energy, and the amount of charge transfers from the Pt cluster toward the nanotube increase with the size of cluster. The calculated density‐of‐states suggest a mixing of ionic and covalent character for the binding nature of this system. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Bibliography

Cuong, N. T., Chi, D. H., Kim, Y., & Mitani, T. (2006). Structural and electronic properties of Ptn (n = 3, 7, 13) clusters on metallic single wall carbon nanotube. Physica Status Solidi (b), 243(13), 3472â3475. Portico.

Authors 4

Nguyen Thanh Cuong (first)
Dam Hieu Chi (additional)
Yong‐Tae Kim (additional)
Tadaoki Mitani (additional)

References 12 Referenced 31

10.1016/j.apcatb.2005.09.014
10.1016/j.elecom.2005.10.015
10.1016/j.matchemphys.2004.01.030
10.1016/j.cattod.2004.04.038
10.1002/anie.200501792
10.1103/PhysRev.136.B864
10.1103/PhysRev.140.A1133
10.1103/PhysRevB.67.155108
10.1103/PhysRevLett.77.3865
10.1103/PhysRevB.69.195113
10.1103/PhysRevB.43.1993
DFT OpenMX code is available on the web site http://staff.aist.go.jp/t‐ozaki/openmx/.

Dates

Type	When
Created	18 years, 11 months ago (Oct. 6, 2006, 6:42 a.m.)
Deposited	1 year, 11 months ago (Sept. 12, 2023, 12:33 p.m.)
Indexed	1 year, 2 months ago (June 26, 2024, 5:54 p.m.)
Issued	18 years, 10 months ago (Oct. 23, 2006)
Published	18 years, 10 months ago (Oct. 23, 2006)
Published Online	18 years, 10 months ago (Oct. 23, 2006)
Published Print	18 years, 10 months ago (Nov. 1, 2006)

Funders 0

None

BibTeX

@article{Cuong_2006, title={Structural and electronic properties of Ptn (n = 3, 7, 13) clusters on metallic single wall carbon nanotube}, volume={243}, ISSN={1521-3951}, url={http://dx.doi.org/10.1002/pssb.200669166}, DOI={10.1002/pssb.200669166}, number={13}, journal={physica status solidi (b)}, publisher={Wiley}, author={Cuong, Nguyen Thanh and Chi, Dam Hieu and Kim, Yong‐Tae and Mitani, Tadaoki}, year={2006}, month=oct, pages={3472–3475} }

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