Heather Abbott-Lyon - Nonequilibrium activated dissociative chemisorption: SiH4 on Si(100)

Version 1

      Publication Details (including relevant citation   information):

      D.F. Kavulak, H.L. Abbott and I. Harrison.   Journal of Physical Chemistry B, 109, 685 (2005).


      A three-parameter local hot spot model of gas-surface reactivity   is employed to analyze and predict dissociative sticking   coefficients for SiH4 incident on Si(100) under varied   nonequilibrium conditions. Two Si surface oscillators and the   molecular vibrations, rotations, and translational energy   directed along the local surface normal are active degrees of   freedom in the 15 dimensional microcanonical kinetics. The   threshold energy for SiH4 dissociative chemisorption is found to   be 19 kJ/mol, in quantitative agreement with recent GGADFT   calculations. A simple scheme for increasing the rate of chemical   vapor deposition of silicon from SiH4 at low surface temperatures   is modeled.

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