These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Initial nitridation of the Ge(100)-2 x 1 surface by ammonia.
    Author: Mui C, Musgrave CB.
    Journal: Langmuir; 2005 May 24; 21(11):5230-2. PubMed ID: 15896076.
    Abstract:
    The reaction of ammonia (NH(3)) on the Ge(100)-2 x 1 surface is investigated using density functional theory (DFT). We find that NH(3) adsorbs molecularly onto Ge(100)-2 x 1 via the formation of a dative bond. The calculations also show that, unlike Si(100)-2 x 1, the activation barrier for subsequent dissociation of NH(3) adsorbed on Ge(100)-2 x 1 is higher than that of reversible desorption, which indicates that NH(3) has a low reactive sticking probability on the Ge(100)-2 x 1 surface. We also predict that nitrogen insertion into the Ge-Ge dimer requires NH(3) overexposure because the activation barrier for NH(2) insertion into the Ge-Ge dimer is significantly above the entrance channel. The nitridation reaction pathway results in the N-H bridge-bonded state, which is found to be 17.4 kcal/mol more stable than the reactants. We find that the reactions of NH(3) on the Ge(100)-2 x 1 surface generally involve higher activation barriers and less stable intermediates than the analogous reactions on the Si(100)-2 x 1 surface.
    [Abstract] [Full Text] [Related] [New Search]