Self-assembled line growth of allyl alcohol on the H-terminated Si(100)-(2 x 1) surface
- Title
- Self-assembled line growth of allyl alcohol on the H-terminated Si(100)-(2 x 1) surface
- Author
- 조준형
- Keywords
- Density functional calculations; Reaction pathway; Molecular line; Silicon surface
- Issue Date
- 2012-02
- Publisher
- ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
- Citation
- SURFACE SCIENCE, Vol.606, No.3-4 [2012], p461-463
- Abstract
- Using first-principles density-functional calculations, we investigate the growth mechanism of allyl alcohol (ALA) line on the H-terminated Si(100)-(2 x 1) surface. Unlike the ally! mercaptan (CH2=CH-CH2-SH) line, which was observed to grow across the Si dimer rows, we find that ALA (CH2=CH-CH2-OH) has the line growth along the Si dimer row. The self-assembled growth of ALA line occurs via the radical chain reaction mechanism, similar to the case of a typical alkene molecule, styrene. Our calculated energy profile along the reaction pathway shows that the different growth direction of ALA line compared with that of allyl mercaptan line is ascribed to the great instability of the oxygen radical intermediate, which prevents the line growth across the dimer rows.
- URI
- http://www.sciencedirect.com/science/article/pii/S0039602811004419http://hdl.handle.net/20.500.11754/67451
- ISSN
- 0039-6028
- DOI
- 10.1016/j.susc.2011.11.008
- Appears in Collections:
- COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > PHYSICS(물리학과) > Articles
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