메뉴 건너뛰기




Volumn 4, Issue 12, 2004, Pages 2331-2335

A two-stage mechanism of bimetallic catalyzed growth of single-walled carbon nanotubes

Author keywords

[No Author keywords available]

Indexed keywords

BIMETALLIC CATALYSTS; GROWTH WITH DEFECT REPAIR (G-DR); LASER VAPORIZATION; SINGLE WALLED CARBON NANOTUBES (SWCN);

EID: 10844235772     PISSN: 15306984     EISSN: None     Source Type: Journal    
DOI: 10.1021/nl048663s     Document Type: Article
Times cited : (129)

References (21)
  • 14
    • 10844286985 scopus 로고    scopus 로고
    • Schrodinger, Inc., Portland, OR
    • Jaguar 4.0, Schrodinger, Inc., Portland, OR, 1997.
    • (1997) Jaguar 4.0
  • 15
    • 9144240095 scopus 로고
    • QM/MM calculation: the nanotube QM region is created by including metal atoms and the 5,5,6,6 defect (14 carbon atoms) plus three adjacent six-member rings where a metal atom will immigrate (12 carbon atoms). The ab initio total energy calculations were performed by using B3LYP. The atomic basis set used is LACVP* including relativistic effects for heavy atoms. The ground state was chosen by the structure with the lowest energy among different spin states of each structure. Dreiding force field was described in Mayo, S. L.; Olafson, B. D.; Goddard, W. A. J. Phys. Chem. 1990, 94, 8897.
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.