Affordable Access

Publisher Website

Self-assembled line growth of allyl alcohol on the H-terminated Si(100)-(2 × 1) surface

Authors
Journal
Surface Science
0039-6028
Publisher
Elsevier
Volume
606
Identifiers
DOI: 10.1016/j.susc.2011.11.008
Keywords
  • Density Functional Calculations
  • Reaction Pathway
  • Molecular Line
  • Silicon Surface

Abstract

Abstract Using first-principles density-functional calculations, we investigate the growth mechanism of allyl alcohol (ALA) line on the H-terminated Si(100)-(2×1) surface. Unlike the allyl 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.

There are no comments yet on this publication. Be the first to share your thoughts.