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Volumn 130, Issue 51, 2008, Pages 17272-17273

Adsorbate-driven morphological changes of a gold surface at low temperatures

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL CALCULATIONS; GOLD SURFACES; INFRARED ABSORPTION REFLECTION SPECTROSCOPIES; LOW TEMPERATURES; MORPHOLOGICAL CHANGES; NANOSIZED AU PARTICLE; SURFACE REACTIVITY; VACANCY ISLANDS;

EID: 67849103269     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja8081268     Document Type: Article
Times cited : (67)

References (25)
  • 4
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    • Newton, M. A. ; Belver-Colderira, C. ; Martinez, Arias, A. ; Fernandez-Garcia, M. Nat. Mater. 2007, 6, 528.
    • Newton, M. A. ; Belver-Colderira, C. ; Martinez, Arias, A. ; Fernandez-Garcia, M. Nat. Mater. 2007, 6, 528.
  • 8
    • 44349103582 scopus 로고    scopus 로고
    • Ojifinni, R. A; Froemming, N. S. ; Gong, J. ; Pan, M. ; Kim, T. S. ; White, J. M. ; Henkelman, G. ; Mullins, C. B. J. Am. Chem. Soc. 2008, 130, 6801.
    • Ojifinni, R. A; Froemming, N. S. ; Gong, J. ; Pan, M. ; Kim, T. S. ; White, J. M. ; Henkelman, G. ; Mullins, C. B. J. Am. Chem. Soc. 2008, 130, 6801.
  • 16
    • 34250030296 scopus 로고    scopus 로고
    • Janssens, T. V. W. ; Clausen, B. S. ; Hvolvauk, B. ; Falsig, H. ; Christensen, C. H. ; T. ; Bligaard, T. ; Norskov, J. K. Top. Catal. 2007, 44, 15.
    • Janssens, T. V. W. ; Clausen, B. S. ; Hvolvauk, B. ; Falsig, H. ; Christensen, C. H. ; T. ; Bligaard, T. ; Norskov, J. K. Top. Catal. 2007, 44, 15.
  • 20
    • 84869567806 scopus 로고    scopus 로고
    • + sputtering at 400 K.
    • + sputtering at 400 K.
  • 21
  • 24
    • 67849127955 scopus 로고    scopus 로고
    • The DFT calculations were performed with the DMol3 codes, as detailed in ref 25. The DMol3 calculations used numerical basis sets and the PW91 descriptions of the exchange and correlation functionals. Slabs of four and nine atomic layers were utilized to model the Au(111) terrace, steps and kinks, respectively. Transition states here were identified using the combination of synchronous transit methods and eigenvector following and verified by the presence of a single imaginary frequency from a sequential vibrational frequency analysis.
    • The DFT calculations were performed with the DMol3 codes, as detailed in ref 25. The DMol3 calculations used numerical basis sets and the PW91 descriptions of the exchange and correlation functionals. Slabs of four and nine atomic layers were utilized to model the Au(111) terrace, steps and kinks, respectively. Transition states here were identified using the combination of synchronous transit methods and eigenvector following and verified by the presence of a single imaginary frequency from a sequential vibrational frequency analysis.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.