The Reaction of Gas-Phase Atomic Bromine with Hydrogen Chemisorbed on a Silicon Surface

초록

The reaction mechanism and product-state energy distribution in the reaction of gas-phase atomic bromine with hydrogen chemisorbed on the silicon surface are studied by use of the classical trajectory approach. The model is based on the reaction zone atoms interacting with a finite number of primary system silicon atoms, which are coupled to the heatbath. It is found that major reaction is the adsorption of bromine atom on the surface. In case of gaseous HBr formation, the distribution of reaction times indicates the reaction proceeds through the Eley-Rideal mechanism, and the reaction probability increases as the gas temperature is raised from 300K to 1000K. Most of the reaction exothermicity deposits in the translational and vibrational motions of HBr.