1998/11/15 by Alejandra B. Gurevich, Boris B. Stefanov, M. K. Weldon +2 · 1 citation
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Ion-surface interactions and analysis #Semiconductor materials and devices
paper · doi:10.1103/physrevb.58.r13434
openalex publication_date 1998/11/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/11
Infrared spectroscopy and ab initio quantum chemical cluster calculations are used to study the decomposition of water on the clean Si(100)\ensuremath-(2\ifmmode×\else\texttimes\fi1) surface at low temperature. Using this combined approach we are able to show that the initial surface is actually comprised of an array of isolated and intra-row coupled dimers. The latter are coupled by a hydrogen bonding interaction between OH groups that reside on the same end of adjacent dimers in a dimer row. We find that this interdimer bonding is \ensuremath∼2 kcal/mol more stable than the isolated dimer case. These findings are postulated to have a significant effect on subsequent oxygen agglomeration.