Oxygen Atom Abstraction of Hydrogen Chemisorbed on a Sillicon Surface

초록

We have calculated the probability of OH (OD) formation and energy deposit of the reaction exothermicity in the newly formed OH (OD), particularly in its vibrational motion, in the gas - phase reactions O(g) + H(ad)/Si → OH(g) + Si and O(g) + D(ad)/Si → OD(g) + Si. The reaction probablilties are about 0.10 at gas temperature 1500K and surface temperature 300K. The vibrational and traslatonal motions of product OH share most of the reaction energy. Increasing the initional bivrational state if the adsorbate from the ground state to v=1,2 and 3 causes the vibrational energy of OH(OD) to rise nearly linearly, while the energy shared by other motions vary only slightly. The product vibrational excitation is strong in both OH and OD, leading to a population inversion. The amount of energy propagated into the bulk solid phase is only about 10% of the reaction energy in the O(g) + D(ad)/Si reaction. The amount propagated to the solid in O(g) + H(ad)/Si is found to be somewhat larger. The dependence of reaction probabilities and energy distributions on surface temperature is found to be weak, in the range of 0 - 600K