메뉴 건너뛰기




Volumn 90, Issue 3, 2003, Pages

Effect of impurities in the large Au-Au distances in gold nanowires

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL ATOMIC STRUCTURE; CRYSTAL IMPURITIES; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION; SCANNING TUNNELING MICROSCOPY; TRANSMISSION ELECTRON MICROSCOPY;

EID: 0037462907     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (66)

References (26)
  • 21
    • 1842816907 scopus 로고
    • note
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). For the pure gold nanowire, the Au-Au maximum distance changed by less than 0.03 Å when the number of k points was changed from 1 to 8.
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 23
    • 0013450666 scopus 로고    scopus 로고
    • note
    • Except for C in Fig. 1, the initial configuration with an inserted impurity X was obtained by an increase in the supercell identical to the increase in the supercel identical to the increase in the Au-Au distance where X was inserted, with the other atoms being rigidly shifted. The amount of shift was estimated from a calculation of a freestanding Au-X-Au-Au structure.
  • 24
    • 85088491067 scopus 로고    scopus 로고
    • note
    • 2 molecules, the binding energy would now be 0.8 eV/atom.
  • 25


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.