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Volumn 93, Issue 18, 2004, Pages

Multiscale modeling of the surfactant mediated synthesis and supramolecular assembly of cobalt nanodots

Author keywords

[No Author keywords available]

Indexed keywords

COBALT; LATTICE CONSTANTS; MICELLES; POTENTIAL ENERGY; SOLUBILITY; SOLVENTS; SUPRAMOLECULAR CHEMISTRY; SURFACE ACTIVE AGENTS; SYNTHESIS (CHEMICAL); THERMODYNAMICS;

EID: 19744381121     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.188301     Document Type: Article
Times cited : (16)

References (28)
  • 1
    • 0034677878 scopus 로고    scopus 로고
    • S. Sun et al., Science 287, 1989 (2000).
    • (2000) Science , vol.287 , pp. 1989
    • Sun, S.1
  • 16
    • 0042205767 scopus 로고    scopus 로고
    • R. Singh et al., Langmuir 19, 6317 (2003).
    • (2003) Langmuir , vol.19 , pp. 6317
    • Singh, R.1
  • 18
    • 10044222611 scopus 로고    scopus 로고
    • note
    • We found that the u(r) derived from two particles adequately represents the properties of larger nonmetallic clusters, e.g., for Ar. This is not the case for metals. For Co the binding energy between two cobalt atoms is ∼ - 2.25 eV. When we use this value to predict the properties of 13 atom clusters, we obtain a binding energy ∼ - 6.75 eV per atom, larger than even the experimental bulk value ∼ - 4.38 eV. This stresses the importance of many body repulsions for metallic systems. Consequently, we are incorrect in using two body potentials in the case of cobalt. However, we operate at temperatures where Co atoms are strongly bound to other Co atoms. Further, we use a lattice description that is relatively insensitive to changes in the structure and packing of Co in each nanodot. We therefore suggest that the use of this potential probably does not qualitatively alter the results we obtain from our simulations; however, we are currently working to verify this conjecture by incorporating these many body effects.
  • 20
    • 19744382067 scopus 로고    scopus 로고
    • Am. Chem. Soc., New York
    • D. K. Phelps, Abstracted Paper (Am. Chem. Soc., New York, 2002), Vol. 226, pp. 308-COLL Pt. 1.
    • (2002) Abstracted Paper , vol.226 , Issue.PART 1
    • Phelps, D.K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.