Atomic adsorption of catalyst metals on Stone-Wales defects in carbon nanotubes [5]

Carbon

Volumn 41, Issue 10, 2003, Pages 2023-2025

  Meng, F Y ^a,b   Zhou, L G ^a,b   Shi, San Qiang ^a   Yang, Rui ^b  

^a HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

^b INSTITUTE OF METAL RESEARCH   (China)

Author keywords

A. Carbon nanotubes; B. Catalyst; C. Adsorption; D. Defects

Indexed keywords

EID: 0037811335     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0008-6223(03)00183-0     Document Type: Article

References (15)

1. Li H.Y., Kim S.G., Tomanek D. Catalytic growth of single-wall carbon nanotubes: an ab initio study. Phys Rev Lett. 78:1997;2393-2396.
2. Lee GD, Han S, Yu J et al. Catalytic decomposition of acetylene on Fe (001): a first-principles study. Phys Rev B 2002;66:081403(R).
3. Nardelli M.B., Fattebert J.L., Bernholc J. O (N) real-space method for ab initio quantum transport calculations: application to carbon nanotube-metal contacts. Phys Rev B. 64:2001;245423-245425.
4. Kong K., Han S., Ihm J. Development of an energy barrier at the metal-chain-metallic-carbon-nanotube nanocontact. Phys Rev B. 60:1999;6074-6079.
5. Harris P.J.F. Carbon nanotubes and related structures: new materials for the twenty-first century. 1999;Cambridge University Press.
6. Ebbesen T.W. Carbon nanotubes: preparation and properties. 1997;CRC Press, Boca Raton, FL.
7. Nardelli M.B., Yakobson B.I., Bernholc J. Brittle and ductile behavior in carbon nanotubes. Phys Rev Lett. 81:1998;4656-4659.
8. Choi H.J., Ihm J., Louie S.G., Cohen M.L. Defects, quasibound states, and quantum conductance in metallic carbon nanotubes. Phys Rev Lett. 84:2000;2917-2920.
9. Thrower P.A. Walker P.L. Jr. Chemistry and physics of carbon. vol. 5:1969;262 Dekker, New York.
10. Zhou L.G., Shi S.Q. Adsorption of foreign atoms on Stone-Wales defects in carbon nanotube. Carbon. 41:2003;613-615.
11. Delley B., Ellis D.E., Freeman A.J., et al. Binding energy and electronic structure of small copper particles. Phys Rev B. 27:1983;2132-2144.
12. Cornwell C.F., Wille L.T. Critical strain and catalytic growth of single-walled carbon nanotubes. J Chem Phys. 109:1998;763-767.
13. Hyperchem computational chemistry, Part 2: Theory and methods (Release 7 for Windows). 2002;Hypercube Inc, Canada.
14. Zhang P., Lammert P.E., Crespi V.H. Plastic deformation of carbon nanotubes. Phys Rev Lett. 24:1998;5346-5349.
15. Hua X., Cagin T., Che J., et al. QM (DFT) and MD studies on formation mechanisms of C60 fullerenes. Nanotechnology. 11:2000;85-88.