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Volumn 86, Issue 6, 2001, Pages 1046-1049

Role of interdimer interactions in NH3 dissociation on Si(100)-(2 × 1)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ADSORPTION; DIMERIZATION; DIMERS; DISSOCIATION; ELECTRONIC STRUCTURE; INFRARED SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SILICON;

EID: 0035251534     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.86.1046     Document Type: Article
Times cited : (98)

References (34)
  • 5
    • 0343387958 scopus 로고    scopus 로고
    • note
    • 2 on Si(100) [30,31]; the resulting presence of a Si-H moiety on one end of a Si dimer affects the reactivity of the opposite end of the same dimer. In this Letter we are concerned with the effect of adsorbates on neighboring dimers that have not themselves been chemically altered.
  • 18
    • 0004133516 scopus 로고    scopus 로고
    • Gaussian, Inc., Pittsburgh, PA
    • M. J. Frisch et al., Gaussian 98 (Gaussian, Inc., Pittsburgh, PA, 1998).
    • (1998) Gaussian 98
    • Frisch, M.J.1
  • 23
    • 0343823625 scopus 로고    scopus 로고
    • note
    • Our calculated chemisorption energies are useful only qualitatively since previous work [22] has shown that such calculated energies with small cluster models can have errors of 5 kcal/mol or more. However, our calculated vibrational frequencies (e.g., Si-H stretch) are expected to be accurate since the scaling factors used to correct them for systematic errors (see footnote, Table I) are also derived from similar small cluster models.
  • 24
    • 0343823626 scopus 로고    scopus 로고
    • note
    • 2 + H as the dominant surface configuration agrees with the recent interpretation, via density functional slab calculations [32], of previously published N 1s core-level shifts as unique to the opposed configuration.
  • 26
    • 0342518363 scopus 로고    scopus 로고
    • note
    • x) arising from H-bonding interactions.
  • 27
    • 0342952529 scopus 로고    scopus 로고
    • note
    • 3 after sequential exposures to achieve the saturated overlayer in Fig. 1(d).
  • 28
    • 0342518360 scopus 로고    scopus 로고
    • note
    • 2 + H configuration.
  • 29
    • 0342518362 scopus 로고    scopus 로고
    • to be published
    • Similar adsorbate alignment effects have recently been observed via scanning tunneling microscopy for propylene adsorption on Si(100); G. P. Lopinski and R. A. Wolkow (to be published).
    • Lopinski, G.P.1    Wolkow, R.A.2
  • 32
    • 0000623651 scopus 로고    scopus 로고
    • unpublished
    • A. Pasquarello (unpublished); G.-M. Rignanese and A. Pasquarello, Appl. Phys. Lett. 76, 553 (2000).
    • Pasquarello, A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.