메뉴 건너뛰기




Volumn 114, Issue 16, 2010, Pages 7364-7371

Experimental and theoretical exploration of the anisotropy of styrene diffusion on hydrogen terminated Si(100)-2 × 1

Author keywords

[No Author keywords available]

Indexed keywords

BARRIER HEIGHTS; BOX DIMENSION; CLEAN SURFACES; DFT CALCULATION; DIFFUSION ANISOTROPY; HYDROGEN-TERMINATED SILICON; MONTE CARLO SIMULATIONS; ROOM TEMPERATURE; SCANNING TUNNELING MICROSCOPY (STM); SI SURFACES; SI(1 0 0);

EID: 77951609659     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp909369k     Document Type: Article
Times cited : (4)

References (40)
  • 30
    • 77951591631 scopus 로고    scopus 로고
    • note
    • The slab was from a model of H-Si(100)-2 - 1 that was optimized by a periodic boundary DFT (PBE) calculation, as described in ref 31.
  • 32
    • 77951560925 scopus 로고    scopus 로고
    • note
    • The optimum structure of the styrene molecule when interacting with the surface has the vinyl group slightly out of the plane of the ring (calculated dihedral angle = 169°). Altering the dihedral angle and placing the molecule parallel to the surface decreased the binding energy by 0.01eV, or 4%.
  • 33
    • 77951607861 scopus 로고    scopus 로고
    • note
    • -I is acceptable.
  • 35
    • 0003516749 scopus 로고    scopus 로고
    • 6th ed.; W.H. Freeman and Company: NewYork,; Chapter 25
    • Atkins, P. W. Physical Chemistry, 6th ed.; W.H. Freeman and Company: NewYork, 2000; Chapter 25.
    • (2000) Physical Chemistry
    • Atkins, P.W.1
  • 40
    • 77951518265 scopus 로고    scopus 로고
    • note
    • We note that the surface area covered by a physisorbed styrene molecule corresponds roughly to the area defined as one lattice site.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.