Line growth on the H/Si(100)-2 × 1 surface: Density functional study of allylic mercaptan reaction mechanisms

Glen Allen Ferguson, Christopher Trong Linh Than, Krishnan Raghavachari

Research output: Contribution to journalArticle

7 Scopus citations


The growth of molecular lines on the Si(100)-2 × 1 surface is an area of intense interest due to its possible application to the microelectronics industry. While many molecules have been found to grow along dimer rows of the Si(100)-2 × 1 surface, only allylic mercaptan (ALM) has been shown to grow exclusively across dimer rows. In this work, we compare several possible mechanisms for line growth across silicon dimer rows. We conclude that a reaction mechanism starting from a branched carbon radical adsorbed on the surface and ending with an interdimer bridged structure is the most probable mechanism for initial ALM reactivity.

Original languageEnglish (US)
Pages (from-to)18817-18822
Number of pages6
JournalJournal of Physical Chemistry C
Issue number43
Publication statusPublished - Nov 20 2009


ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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