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Volumn 114, Issue 9, 2010, Pages 3981-3986

Surface radical chain reaction revisited: Comparative investigation of styrene and 2,4-dimethyl-styrene on hydrogenated Si(001) surface from density functional theory calculations

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC-SCALE MECHANISMS; CHAIN REACTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DESORPTION TEMPERATURES; HIGHER TEMPERATURES; META-STABLE STATE; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; RADICAL CHAIN; RADICAL CHAIN REACTIONS; REACTION PATHS; SI(0 0 1); SI(001) SURFACES; SI-DIMER;

EID: 77949304899     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp9097183     Document Type: Article
Times cited : (21)

References (26)
  • 1
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    • 0037051030 scopus 로고    scopus 로고
    • Bent, S. F. Surf. Sci. 2002, 500, 879-903.
    • (2002) Surf. Sci. , vol.500 , pp. 879-903
    • Bent, S.F.1
  • 19
    • 77949295447 scopus 로고    scopus 로고
    • Giannozzi P. http://arxiv.org/abs/0906.2569P.
    • Giannozzi, P.1
  • 26
    • 77949277830 scopus 로고    scopus 로고
    • Note
    • A similar difference was found for the energy barrier for hydrogen abstraction from a dimer in the neighboring row: 1.08 eV going directly from the bent to the vertical phenyl configuration, and 1.03 eV for the case phenyl group remains bent also in the final state. This inter-dimer abstraction of the H atom would result in the molecular line growth perpendicular to the Si dimer rows.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.